1-cyclopentyl-N3-ethyl-N5-[(2-methoxynaphthalen-1-yl)methyl]-4-oxo-1,4-dihydropyridine-3,5-dicarboxamide

• ChemBase ID: 710720
• Molecular Formular: C26H29N3O4
• Molecular Mass: 447.52616
• Monoisotopic Mass: 447.21580642
• SMILES: c1(c(=O)c(cn(c1)C1CCCC1)C(=O)NCC)C(=O)NCc1c2c(ccc1OC)cccc2
• Canonical SMILES: CCNC(=O)c1cn(cc(c1=O)C(=O)NCc1c(OC)ccc2c1cccc2)C1CCCC1
• InChI: InChI=1S/C26H29N3O4/c1-3-27-25(31)21-15-29(18-9-5-6-10-18)16-22(24(21)30)26(32)28-14-20-19-11-7-4-8-17(19)12-13-23(20)33-2/h4,7-8,11-13,15-16,18H,3,5-6,9-10,14H2,1-2H3,(H,27,31)(H,28,32)
• InChIKey: WUGSRPBJGNODER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-N3-ethyl-N5-[(2-methoxynaphthalen-1-yl)methyl]-4-oxo-1,4-dihydropyridine-3,5-dicarboxamide
• IUPAC Traditional name: 1-cyclopentyl-N3-ethyl-N5-[(2-methoxynaphthalen-1-yl)methyl]-4-oxopyridine-3,5-dicarboxamide
• Synonyms: 1-cyclopentyl-N-ethyl-N'-[(2-methoxy-1-naphthyl)methyl]-4-oxo-1,4-dihydro-3,5-pyridinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.819773
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.932541
• LogD (pH = 7.4): 2.9325411
• Log P: 2.9325411
• Molar Refractivity: 127.1853 cm^3
• Polarizability: 49.651115 Å^3
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.39
• LOG S: -7.08
• Polar Surface Area: 89.43 Å^2
• Rotatable Bonds: 5