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

• ChemBase ID: 309355
• Molecular Formular: C9H13N3O2
• Molecular Mass: 195.21842
• Monoisotopic Mass: 195.10077667
• SMILES: c1(c(=O)n(c(c(c1C)N)C)C)C(=O)N
• Canonical SMILES: NC(=O)c1c(C)c(N)c(n(c1=O)C)C
• InChI: InChI=1S/C9H13N3O2/c1-4-6(8(11)13)9(14)12(3)5(2)7(4)10/h10H2,1-3H3,(H2,11,13)
• InChIKey: YGWXZXCGMWTQSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18447658

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5699222
• LogD (pH = 7.4): -1.5699221
• Log P: -1.5699221
• Molar Refractivity: 54.4894 cm^3
• Polarizability: 19.686361 Å^3
• Polar Surface Area: 89.42 Å^2