N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2,6-dimethyl-4-oxo-1,4-dihydropyridine-3-carboxamide

• ChemBase ID: 703218
• Molecular Formular: C15H18N4O2
• Molecular Mass: 286.32902
• Monoisotopic Mass: 286.14297584
• SMILES: c1(C(=O)Nc2n3c(nc2)CCCC3)c([nH]c(cc1=O)C)C
• Canonical SMILES: O=C(c1c(C)[nH]c(cc1=O)C)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C15H18N4O2/c1-9-7-11(20)14(10(2)17-9)15(21)18-13-8-16-12-5-3-4-6-19(12)13/h7-8H,3-6H2,1-2H3,(H,17,20)(H,18,21)
• InChIKey: KGZUTVSWPWPQQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2,6-dimethyl-4-oxo-1,4-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
• Synonyms: 2,6-dimethyl-4-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,4-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.718177
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.026351549
• LogD (pH = 7.4): 0.66030484
• Log P: 0.68857545
• Molar Refractivity: 82.648 cm^3
• Polarizability: 29.575869 Å^3
• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.48
• LOG S: -1.7
• Polar Surface Area: 79.78 Å^2
• Rotatable Bonds: 2