5-amino-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 309409
• Molecular Formular: C8H11N3O2
• Molecular Mass: 181.19184
• Monoisotopic Mass: 181.08512661
• SMILES: c1(c(c(c([nH]c1=O)C)N)C)C(=O)N
• Canonical SMILES: NC(=O)c1c(=O)[nH]c(c(c1C)N)C
• InChI: InChI=1S/C8H11N3O2/c1-3-5(7(10)12)8(13)11-4(2)6(3)9/h9H2,1-2H3,(H2,10,12)(H,11,13)
• InChIKey: NRWLIKUNUBFPJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: 5-amino-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: 5-amino-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide

Database IDs

• CAS Number: 1227465-83-9
• MDL Number: MFCD16556142

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.7936002
• LogD (pH = 7.4): -1.7937598
• Log P: -1.7935982
• Molar Refractivity: 49.5927 cm^3
• Polarizability: 17.8572 Å^3
• Polar Surface Area: 98.21 Å^2