N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 582964
• Molecular Formular: C16H16N4O2
• Molecular Mass: 296.32384
• Monoisotopic Mass: 296.12732577
• SMILES: c1(nc2n(c1)cccc2C)C(=O)Nn1c(=O)cc(cc1C)C
• Canonical SMILES: Cc1cc(C)n(c(=O)c1)NC(=O)c1nc2n(c1)cccc2C
• InChI: InChI=1S/C16H16N4O2/c1-10-7-12(3)20(14(21)8-10)18-16(22)13-9-19-6-4-5-11(2)15(19)17-13/h4-9H,1-3H3,(H,18,22)
• InChIKey: CQLOCYHVVJDBPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-(2,4-dimethyl-6-oxopyridin-1-yl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-(4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 1.4
• LOG S: -4.25
• Polar Surface Area: 68.4 Å^2
• Rotatable Bonds: 2
• H Acceptors: 4
• H Donor: 1

JChem

• Molar Refractivity: 86.2304 cm^3
• Polarizability: 30.793474 Å^3
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 12.075513
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4052292
• LogD (pH = 7.4): 1.4124945
• Log P: 1.4125962