N-(4-methylphenyl)-3-[(1,4,6-trimethyl-2-oxo-1,2-dihydropyridin-3-yl)formamido]propanamide

• ChemBase ID: 610499
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: c1(c(=O)n(c(cc1C)C)C)C(=O)NCCC(=O)Nc1ccc(cc1)C
• Canonical SMILES: O=C(Nc1ccc(cc1)C)CCNC(=O)c1c(C)cc(n(c1=O)C)C
• InChI: InChI=1S/C19H23N3O3/c1-12-5-7-15(8-6-12)21-16(23)9-10-20-18(24)17-13(2)11-14(3)22(4)19(17)25/h5-8,11H,9-10H2,1-4H3,(H,20,24)(H,21,23)
• InChIKey: FBNYSSGCSLUJCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methylphenyl)-3-[(1,4,6-trimethyl-2-oxo-1,2-dihydropyridin-3-yl)formamido]propanamide
• IUPAC Traditional name: N-(4-methylphenyl)-3-[(1,4,6-trimethyl-2-oxopyridin-3-yl)formamido]propanamide
• Synonyms: 1,4,6-trimethyl-N-{3-[(4-methylphenyl)amino]-3-oxopropyl}-2-oxo-1,2-dihydropyridine-3-carboxamide (non-preferred name)

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.437196
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3526676
• LogD (pH = 7.4): 1.3526678
• Log P: 1.3526678
• Molar Refractivity: 99.9388 cm^3
• Polarizability: 36.599346 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.4
• LOG S: -2.88
• Polar Surface Area: 80.2 Å^2
• Rotatable Bonds: 5