N-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide

• ChemBase ID: 616774
• Molecular Formular: C19H24N2O2
• Molecular Mass: 312.40606
• Monoisotopic Mass: 312.18377802
• SMILES: C(=O)(c1c(nccc1)C)N(Cc1ccc(cc1)OC)CC(C)C
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)c1cccnc1C)CC(C)C
• InChI: InChI=1S/C19H24N2O2/c1-14(2)12-21(13-16-7-9-17(23-4)10-8-16)19(22)18-6-5-11-20-15(18)3/h5-11,14H,12-13H2,1-4H3
• InChIKey: FOSIDLGGLDBXTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
• IUPAC Traditional name: N-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
• Synonyms: N-isobutyl-N-(4-methoxybenzyl)-2-methylnicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9516277
• LogD (pH = 7.4): 2.9954505
• Log P: 2.996041
• Molar Refractivity: 92.1844 cm^3
• Polarizability: 35.346035 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.57
• LOG S: -4.53
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 6