N-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide

• ChemBase ID: 262079
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: c1(c[nH]c(=O)cc1)C(=O)NC
• Canonical SMILES: CNC(=O)c1ccc(=O)[nH]c1
• InChI: InChI=1S/C7H8N2O2/c1-8-7(11)5-2-3-6(10)9-4-5/h2-4H,1H3,(H,8,11)(H,9,10)
• InChIKey: NBUNJDAKVMXXEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-methyl-6-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide

Database IDs

• MDL Number: MFCD11174156
• PubChem SID: 164317989
• PubChem CID: 70510

CALCULATED PROPERTIES

• Acid pKa: 10.588177
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1313816
• LogD (pH = 7.4): -1.1316005
• Log P: -1.1313508
• Molar Refractivity: 40.7634 cm^3
• Polarizability: 14.871225 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.269

Product Information

• Purity: 95%