N-{[2-(1H-imidazol-1-yl)pyridin-3-yl]methyl}-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 499098
• Molecular Formular: C18H19N5O2
• Molecular Mass: 337.37576
• Monoisotopic Mass: 337.15387487
• SMILES: c1(c(=O)n(c(cc1C)C)C)C(=O)NCc1c(n2cncc2)nccc1
• Canonical SMILES: O=C(c1c(C)cc(n(c1=O)C)C)NCc1cccnc1n1cncc1
• InChI: InChI=1S/C18H19N5O2/c1-12-9-13(2)22(3)18(25)15(12)17(24)21-10-14-5-4-6-20-16(14)23-8-7-19-11-23/h4-9,11H,10H2,1-3H3,(H,21,24)
• InChIKey: FWYJWDOEMVKPRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(1H-imidazol-1-yl)pyridin-3-yl]methyl}-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-{[2-(imidazol-1-yl)pyridin-3-yl]methyl}-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
• Synonyms: N-{[2-(1H-imidazol-1-yl)pyridin-3-yl]methyl}-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Lipinski's Rule of Five: true
• Acid pKa: 14.869316
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.103351906
• LogD (pH = 7.4): 0.5305009
• Log P: 0.5543712
• Molar Refractivity: 106.5539 cm^3
• Polarizability: 35.475204 Å^3
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 4

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.0
• LOG S: -2.97
• Polar Surface Area: 81.81 Å^2
• Rotatable Bonds: 4