1,4-Dihydro-1-methyl-4-oxo-3-pyridinecarboxamide

Base Information

• Chemical Name: 1,4-Dihydro-1-methyl-4-oxo-3-pyridinecarboxamide
• CAS No.: 769-49-3
• Molecular Formula: C₇H₈N₂O₂
• Molecular Weight: 152.153
• European Community (EC) Number: 845-640-9
• UNII: VE4S15CI8D
• DSSTox Substance ID: DTXSID80227697
• Nikkaji Number: J367.452E
• Wikidata: Q27103369
• Metabolomics Workbench ID: 38490
• ChEMBL ID: CHEMBL3542326
• Mol file: 769-49-3.mol

Synonyms:769-49-3;1,4-Dihydro-1-methyl-4-oxo-3-pyridinecarboxamide;n-methyl-4-pyridone-3-carboxamide;1-METHYL-4-OXO-PYRIDINE-3-CARBOXAMIDE;1-methyl-4-oxo-1,4-dihydropyridine-3-carboxamide;1-Methyl-4-pyridone-3-carboximide;1-Methyl-4-pyridone-5-carboxamide;3-Pyridinecarboxamide, 1,4-dihydro-1-methyl-4-oxo-;N1-Methyl-4-pyridone-5-carboxamide;1-methyl-4-oxopyridine-3-carboxamide;1-Methyl-4-pyridone-3-carboxamide;N'-Methyl-4-pyridone-5-carboxamide;N1-Methyl-4-pyridone-3-carboxamide;UNII-VE4S15CI8D;1-Methyl-4-oxo-1,4-dihydro-3-pyridinecarboxamide;VE4S15CI8D;5-Aminocarbonyl-1-methyl-4(1H)-pyridone;3-(Aminocarbonyl)-1-methyl-4(1H)-pyridone;CHEBI:27838;4-Py;C05843;SCHEMBL715572;CHEMBL3542326;DTXSID80227697;n-methyl-4-pyridone-5-carboxamide;AKOS028111420;SB38664;HY-113472;CS-0062330;EN300-180111;NICOTINAMIDE, 1,4-DIHYDRO-1-METHYL-4-OXO-;LC-tDDA;CE10;Q27103369;Z1262623373;1-Methyl-4-oxo-1,4-dihydro-pyridine-3-carboxylic acid amide

Chemical Property of 1,4-Dihydro-1-methyl-4-oxo-3-pyridinecarboxamide

Chemical Property:

• Vapor Pressure: 4.35E-05mmHg at 25°C
• Boiling Point: 350.6°C at 760 mmHg
• Flash Point: 165.8°C
• PSA: 66.08000
• Density: 1.3g/cm³
• LogP: 0.36840
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 152.058577502
• Heavy Atom Count: 11
• Complexity: 266

Purity/Quality:

99% ^*data from raw suppliers

1,4-Dihydro-1-methyl-4-oxo-3-pyridinecarboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CC(=O)C(=C1)C(=O)N
• Uses: 1,4-Dihydro-1-methyl-4-oxo-3-pyridinecarboxamide, has been shown to be one of the potential novel biomarkers of peroxisome proliferation in the rat.

Technology Process of 1,4-Dihydro-1-methyl-4-oxo-3-pyridinecarboxamide

There total 3 articles about 1,4-Dihydro-1-methyl-4-oxo-3-pyridinecarboxamide 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:

N-methyl-3-carboxamidepyridinium (3106-60-3) → 1-methyl-1,4-dihydro-4-oxo-3-pyridinecarboxamide (769-49-3) + 1-methyl-2-pyridone-5-carboxamide (701-44-0)

Guidance literature:

With 2,6-Dichlorophenolindophenol; In aq. acetate buffer; at 37 ℃; pH=8; Reagent/catalyst; Kinetics; Enzymatic reaction;

DOI:10.1124/dmd.117.075937

Reference yield:

4-methoxynicotinamide (7418-64-6) + methyl iodide (74-88-4) → 1-methyl-1,4-dihydro-4-oxo-3-pyridinecarboxamide (769-49-3)

Guidance literature:

With methanol; Neutralisieren der sauren wss. Loesung des Reaktionsprodukts mit K₂CO₃;

Reference yield:

→ 1-methyl-1,4-dihydro-4-oxo-3-pyridinecarboxamide (769-49-3)

Guidance literature:

1-Methyl-1,4-dihydro-4-oxo-nicotinsaeure, 1.) Chlorameisensaeure-ethylester, NEt3, CHCl3, THF, 2.) 15n NH3;

DOI:10.1021/jo01282a060

upstream raw materials:

4-methoxynicotinamide

methyl iodide

N-methyl-3-carboxamidepyridinium

Refernces

• 1、 Tanaka,Price. "A new synthesis of 1-methyl-1,6-dihydro-6-oxonicotinic acid and 1-methyl-1,4-dihydro-4-oxonicotinic acid derivatives.". . p. 2351 - 2352. Retrieved 2007/10/05.