5,6-dimethyl-N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 559629
• Molecular Formular: C17H18N4O2
• Molecular Mass: 310.35042
• Monoisotopic Mass: 310.14297584
• SMILES: c1(c(=O)[nH]c(c(c1)C)C)C(=O)NCc1n2c(nc1)c(ccc2)C
• Canonical SMILES: Cc1[nH]c(=O)c(cc1C)C(=O)NCc1cnc2n1cccc2C
• InChI: InChI=1S/C17H18N4O2/c1-10-5-4-6-21-13(8-18-15(10)21)9-19-16(22)14-7-11(2)12(3)20-17(14)23/h4-8H,9H2,1-3H3,(H,19,22)(H,20,23)
• InChIKey: QVLKSGABZQYSFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethyl-N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: 5,6-dimethyl-N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: 5,6-dimethyl-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.002636
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.35220438
• LogD (pH = 7.4): 0.36630312
• Log P: 0.41047165
• Molar Refractivity: 90.3493 cm^3
• Polarizability: 32.83305 Å^3
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.91
• LOG S: -2.24
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 3