1-cyclopentyl-5-oxo-N-[2-(pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide

• ChemBase ID: 547546
• Molecular Formular: C17H23N3O2
• Molecular Mass: 301.38342
• Monoisotopic Mass: 301.17902699
• SMILES: N1(C(=O)CC(C1)C(=O)NCCc1cnccc1)C1CCCC1
• Canonical SMILES: O=C(C1CC(=O)N(C1)C1CCCC1)NCCc1cccnc1
• InChI: InChI=1S/C17H23N3O2/c21-16-10-14(12-20(16)15-5-1-2-6-15)17(22)19-9-7-13-4-3-8-18-11-13/h3-4,8,11,14-15H,1-2,5-7,9-10,12H2,(H,19,22)
• InChIKey: LXCPRZFRUKEKDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-5-oxo-N-[2-(pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopentyl-5-oxo-N-[2-(pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
• Synonyms: 1-cyclopentyl-5-oxo-N-[2-(3-pyridinyl)ethyl]-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.499202
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.49872428
• LogD (pH = 7.4): 0.5883104
• Log P: 0.58961594
• Molar Refractivity: 83.5833 cm^3
• Polarizability: 32.49195 Å^3
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.35
• LOG S: -1.71
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 5