N-{[2-(dimethylamino)pyridin-3-yl]methyl}-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 864581
• Molecular Formular: C15H18N4O2
• Molecular Mass: 286.32902
• Monoisotopic Mass: 286.14297584
• SMILES: c1(c(=O)[nH]c(cc1)C)C(=O)NCc1c(nccc1)N(C)C
• Canonical SMILES: O=C(c1ccc([nH]c1=O)C)NCc1cccnc1N(C)C
• InChI: InChI=1S/C15H18N4O2/c1-10-6-7-12(15(21)18-10)14(20)17-9-11-5-4-8-16-13(11)19(2)3/h4-8H,9H2,1-3H3,(H,17,20)(H,18,21)
• InChIKey: FSGUAIGRNQWZDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(dimethylamino)pyridin-3-yl]methyl}-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-{[2-(dimethylamino)pyridin-3-yl]methyl}-6-methyl-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-{[2-(dimethylamino)pyridin-3-yl]methyl}-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.752303
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.31369337
• LogD (pH = 7.4): 0.40357053
• Log P: 0.43221322
• Molar Refractivity: 83.8554 cm^3
• Polarizability: 30.19704 Å^3
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.08
• LOG S: -2.53
• Polar Surface Area: 78.09 Å^2
• Rotatable Bonds: 4