2-Piperazin-1-ylnicotinamide

Base Information

• Chemical Name: 2-Piperazin-1-ylnicotinamide
• CAS No.: 87394-64-7
• Molecular Formula: C₁₀H₁₄N₄O
• Molecular Weight: 206.247
• Hs Code.: 2933599090
• European Community (EC) Number: 677-205-2
• ChEMBL ID: CHEMBL47688
• DSSTox Substance ID: DTXSID80588472
• Wikidata: Q72500196
• Mol file: 87394-64-7.mol

Synonyms:87394-64-7;2-PIPERAZIN-1-YLNICOTINAMIDE;2-(piperazin-1-yl)nicotinamide;2-(1-PIPERAZINYL)NICOTINAMIDE;2-(piperazin-1-yl)pyridine-3-carboxamide;2-piperazin-1-ylpyridine-3-carboxamide;2-(1-Piperazino)nicotinamide;2-(1-Piperazinyl)-3-pyridinecarboxamide;CHEMBL47688;2-Piperazin-1-yl-nicotinamide;SCHEMBL4538970;DTXSID80588472;BDBM50027028;MFCD08061093;STL089981;AKOS000141213;AB93277;MCULE-5432751294;2-Piperazin-1-ylnicotinamide, AldrichCPR;AS-59610;DB-002161;AM20061565;CS-0252265;EN300-59610;Q-103353;Z259728622;2-Piperazin-1-ylnicotinamide

Chemical Property of 2-Piperazin-1-ylnicotinamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.585
• Boiling Point: 434.981 °C at 760 mmHg
• Flash Point: 216.869 °C
• PSA: 71.25000
• Density: 1.216 g/cm³
• LogP: 2.28820
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 206.11676108
• Heavy Atom Count: 15
• Complexity: 228

Purity/Quality:

99% ^*data from raw suppliers

2-Piperazin-1-ylnicotinamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=C(C=CC=N2)C(=O)N

Technology Process of 2-Piperazin-1-ylnicotinamide

There total 3 articles about 2-Piperazin-1-ylnicotinamide 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: 48.0%

→ 2-(piperazin-1-yl)pyridine-3-carboxamide (87394-64-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 20h;

Reference yield: 47.0%

2-(piperazin-1-yl)nicotinonitrile (84951-44-0) → 2-(piperazin-1-yl)pyridine-3-carboxamide (87394-64-7)

Guidance literature:

With sulfuric acid; at 100 ℃; for 19h;

Reference yield:

piperazine (110-85-0) + 2-chloronicotinamide (10366-35-5) → 2-(piperazin-1-yl)pyridine-3-carboxamide (87394-64-7)

Guidance literature:

In butan-1-ol; for 48h; Heating;

DOI:10.1021/jm00366a007

upstream raw materials:

piperazine

2-chloronicotinamide

2-(piperazin-1-yl)nicotinonitrile

Refernces

• 1、 -. "Substituted indole compound and method and use thereof". Paragraph 0327; 0328; 0434; 0436; 0437. . Retrieved 2018/11/03.