N-(2-Chloro-4-methylpyridin-3-yl)-2-(cyclopropylamino)nicotinamide

Base Information

• Chemical Name: N-(2-Chloro-4-methylpyridin-3-yl)-2-(cyclopropylamino)nicotinamide
• CAS No.: 133627-47-1
• Molecular Formula: C15H15ClN4O
• Molecular Weight: 302.763
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60433532
• Nikkaji Number: J1.307.780K
• Wikidata: Q82247697
• Mol file: 133627-47-1.mol

Synonyms:133627-47-1;N-(2-Chloro-4-methylpyridin-3-yl)-2-(cyclopropylamino)nicotinamide;N-(2-CHLORO-4-METHYLPYRIDIN-3-YL)-2-(CYCLOPROPYLAMINO)PYRIDINE-3-CARBOXAMIDE;3-PyridineCarboxamide,Nevirapine;SCHEMBL1923555;DTXSID60433532;AKOS015913322;N-(2-chloro-4-methyl-3-pyridinyl)-2-(cyclopropylamino)-3-pyridinecarboxamide;N-(2-Chloro-4-Methyl-3-Pyridyl)-2-Cyclopropylamino-3-Pyridinecarboxamide;AS-82376;CS-0444815;FT-0658945;D96022;A806654;N-(2-Chloro-4-methyl-3-pyridyl)-2-(cyclopropylamino)nicotinamide;N-(2-chloro-4-methyl-pyridin-3-yl)-2-cyclopropylamino-nicotinamide;N-(2-chloro-4-methyl-3-pyridyl)-2-(cyclopropylamino)-3-pyridinecarboxamide;N-(2-chloro-4-methyl-3-pyridyl)-2-(cyclopropylamino)pyridine-3-carboxamide;N-(2-Chioro-4-Methyi-3-Pyndinyl)-2-(Cyclopropyi Amino)-3-Pyridine Carboxamide;N-(2-chloro-4-methyl-3-pyridyl)-2-(cyclopropylamino)-3-pyridine carboxamide

Chemical Property of N-(2-Chloro-4-methylpyridin-3-yl)-2-(cyclopropylamino)nicotinamide

Chemical Property:

• Melting Point: 127-129 °C
• Boiling Point: 428.9±45.0 °C(Predicted)
• PKA: 11.17±0.70(Predicted)
• PSA: 66.91000
• Density: 1.429±0.06 g/cm3(Predicted)
• LogP: 3.41100
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 302.0934388
• Heavy Atom Count: 21
• Complexity: 377

Purity/Quality:

97% ^*data from raw suppliers

N-(2-Chloro-4-methylpyridin-3-yl)-2-(cyclopropylamino)nicotinamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NC=C1)Cl)NC(=O)C2=C(N=CC=C2)NC3CC3
• Uses: N-(2-Chloro-4-methylpyridin-3-yl)-2-(cyclopropylamino)nicotinamide (CAS# 133627-47-1) is a synthetic intermediate and an impurity of nevirapine (N391275).

Technology Process of N-(2-Chloro-4-methylpyridin-3-yl)-2-(cyclopropylamino)nicotinamide

There total 18 articles about N-(2-Chloro-4-methylpyridin-3-yl)-2-(cyclopropylamino)nicotinamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-pyridinecarboxamide (133627-46-0) + Cyclopropylamine (765-30-0) → N-(2-chloro-4-methyl-3-pyridinyl)-2-(cyclopropylamino)-3-pyridinecarboxamide (133627-47-1)

Guidance literature:

at 140 ℃; for 4h;

DOI:10.1002/jhet.5570300328

Reference yield: 94.0%

methyl 2-(cyclopropylamino)nicotinate + 3-Amino-2-chloro-4-methylpyridine (133627-45-9) → N-(2-chloro-4-methyl-3-pyridinyl)-2-(cyclopropylamino)-3-pyridinecarboxamide (133627-47-1)

Guidance literature:

3-Amino-2-chloro-4-methylpyridine; With sodium hydride; In diethylene glycol dimethyl ether; at 20 ℃; for 0.5h;

methyl 2-(cyclopropylamino)nicotinate; In diethylene glycol dimethyl ether; at 60 ℃; for 2h; Reagent/catalyst;

DOI:10.1039/c7gc00937b

Reference yield: 79.64%

3-Amino-2-chloro-4-methylpyridine (133627-45-9) + Cyclopropylamine (765-30-0) → N-(2-chloro-4-methyl-3-pyridinyl)-2-(cyclopropylamino)-3-pyridinecarboxamide (133627-47-1)

Guidance literature:

In toluene; at 125 - 130 ℃; for 21h; under 775.743 Torr;

upstream raw materials:

2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-pyridinecarboxamide

Cyclopropylamine

2-Chloronicotinoyl chloride

2-chloronicotinic acid

Downstream raw materials:

Nevirapine