N-benzyl-N-butyl-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)-1,4-dihydropyridine-3-carboxamide

• ChemBase ID: 708238
• Molecular Formular: C28H37N3O3
• Molecular Mass: 463.61168
• Monoisotopic Mass: 463.28349206
• SMILES: c1(c(=O)c(cn(c1)C1CCCC1)C(=O)N(Cc1ccccc1)CCCC)C(=O)N1CCCCC1
• Canonical SMILES: CCCCN(C(=O)c1cn(cc(c1=O)C(=O)N1CCCCC1)C1CCCC1)Cc1ccccc1
• InChI: InChI=1S/C28H37N3O3/c1-2-3-16-30(19-22-12-6-4-7-13-22)28(34)25-21-31(23-14-8-9-15-23)20-24(26(25)32)27(33)29-17-10-5-11-18-29/h4,6-7,12-13,20-21,23H,2-3,5,8-11,14-19H2,1H3
• InChIKey: JTJPFUOEVOZIHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-butyl-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)-1,4-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-benzyl-N-butyl-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
• Synonyms: N-benzyl-N-butyl-1-cyclopentyl-4-oxo-5-(1-piperidinylcarbonyl)-1,4-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.365544
• LogD (pH = 7.4): 4.365545
• Log P: 4.365545
• Molar Refractivity: 135.3323 cm^3
• Polarizability: 51.796757 Å^3
• Polar Surface Area: 60.93 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.39
• LOG S: -5.5
• Polar Surface Area: 62.62 Å^2
• Rotatable Bonds: 6