N-({5,7-dimethylimidazo[1,2-a]pyridin-2-yl}methyl)-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxamide

• ChemBase ID: 398240
• Molecular Formular: C17H18N4O2
• Molecular Mass: 310.35042
• Monoisotopic Mass: 310.14297584
• SMILES: c12n(c(cc(c2)C)C)cc(n1)CNC(=O)c1cc(=O)[nH]c(c1)C
• Canonical SMILES: Cc1cc(C)n2c(c1)nc(c2)CNC(=O)c1cc(C)[nH]c(=O)c1
• InChI: InChI=1S/C17H18N4O2/c1-10-4-12(3)21-9-14(20-15(21)5-10)8-18-17(23)13-6-11(2)19-16(22)7-13/h4-7,9H,8H2,1-3H3,(H,18,23)(H,19,22)
• InChIKey: OLDXOOWOYVKFAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.966998
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.21072146
• LogD (pH = 7.4): 0.3591028
• Log P: 0.37595326
• Molar Refractivity: 90.7422 cm^3
• Polarizability: 32.757587 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: 0.79
• LOG S: -2.14
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 3