5-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 292494
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: Cc1c[nH]c(=O)c(c1)C(=O)N
• Canonical SMILES: Cc1c[nH]c(=O)c(c1)C(=O)N
• InChI: InChI=1S/C7H8N2O2/c1-4-2-5(6(8)10)7(11)9-3-4/h2-3H,1H3,(H2,8,10)(H,9,11)
• InChIKey: MNWFUPKKGZILFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: 5-methyl-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: 5-Methyl-2-oxo-1,2-dihydropyridine-3-carboxamide

Database IDs

• CAS Number: 85614-92-2
• PubChem SID: 180678025
• PubChem CID: 13004797

CALCULATED PROPERTIES

• Acid pKa: 10.851993
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.95947814
• LogD (pH = 7.4): -0.9596122
• Log P: -0.95947635
• Molar Refractivity: 40.2238 cm^3
• Polarizability: 14.871225 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%