N-[3-(2-methoxyphenyl)-3-methylpentyl]-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 681713
• Molecular Formular: C20H26N2O3
• Molecular Mass: 342.43204
• Monoisotopic Mass: 342.1943427
• SMILES: c1(c(=O)n(ccc1)C)C(=O)NCCC(c1c(OC)cccc1)(CC)C
• Canonical SMILES: COc1ccccc1C(CCNC(=O)c1cccn(c1=O)C)(CC)C
• InChI: InChI=1S/C20H26N2O3/c1-5-20(2,16-10-6-7-11-17(16)25-4)12-13-21-18(23)15-9-8-14-22(3)19(15)24/h6-11,14H,5,12-13H2,1-4H3,(H,21,23)
• InChIKey: BZSCMGBVFVQFMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-methoxyphenyl)-3-methylpentyl]-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[3-(2-methoxyphenyl)-3-methylpentyl]-1-methyl-2-oxopyridine-3-carboxamide
• Synonyms: N-[3-(2-methoxyphenyl)-3-methylpentyl]-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.379042
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.576181
• LogD (pH = 7.4): 2.5761812
• Log P: 2.5761812
• Molar Refractivity: 99.7917 cm^3
• Polarizability: 37.988407 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.35
• LOG S: -3.7
• Polar Surface Area: 60.33 Å^2
• Rotatable Bonds: 7