N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 462544
• Molecular Formular: C21H21N3O3
• Molecular Mass: 363.40974
• Monoisotopic Mass: 363.15829155
• SMILES: c1(c(=O)n(ccc1)C)C(=O)N(Cc1ncccc1)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)c1cccn(c1=O)C)Cc1ccccn1
• InChI: InChI=1S/C21H21N3O3/c1-23-13-5-7-19(20(23)25)21(26)24(15-17-6-3-4-12-22-17)14-16-8-10-18(27-2)11-9-16/h3-13H,14-15H2,1-2H3
• InChIKey: HWKIVZBSEAPCDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
• Synonyms: N-(4-methoxybenzyl)-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6056052
• LogD (pH = 7.4): 1.6230378
• Log P: 1.623265
• Molar Refractivity: 103.6412 cm^3
• Polarizability: 39.314926 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.71
• LOG S: -1.16
• Polar Surface Area: 64.43 Å^2
• Rotatable Bonds: 6