N-cyclopentyl-5-(2-ethylpiperidine-1-carbonyl)-1-(2-methylpropyl)-4-oxo-1,4-dihydropyridine-3-carboxamide

• ChemBase ID: 766099
• Molecular Formular: C23H35N3O3
• Molecular Mass: 401.5423
• Monoisotopic Mass: 401.267842
• SMILES: c1(C(=O)N2C(CC)CCCC2)c(=O)c(C(=O)NC2CCCC2)cn(c1)CC(C)C
• Canonical SMILES: CCC1CCCCN1C(=O)c1cn(CC(C)C)cc(c1=O)C(=O)NC1CCCC1
• InChI: InChI=1S/C23H35N3O3/c1-4-18-11-7-8-12-26(18)23(29)20-15-25(13-16(2)3)14-19(21(20)27)22(28)24-17-9-5-6-10-17/h14-18H,4-13H2,1-3H3,(H,24,28)
• InChIKey: GJFSCVJLYDZGDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-5-(2-ethylpiperidine-1-carbonyl)-1-(2-methylpropyl)-4-oxo-1,4-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopentyl-5-(2-ethylpiperidine-1-carbonyl)-1-(2-methylpropyl)-4-oxopyridine-3-carboxamide
• Synonyms: N-cyclopentyl-5-[(2-ethyl-1-piperidinyl)carbonyl]-1-isobutyl-4-oxo-1,4-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 15.4358425
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.2768955
• LogD (pH = 7.4): 3.2768972
• Log P: 3.2768974
• Molar Refractivity: 114.6364 cm^3
• Polarizability: 44.05145 Å^3
• Polar Surface Area: 69.72 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 1
• Log P: 2.19
• LOG S: -5.61
• Polar Surface Area: 71.41 Å^2