2-(furan-2-yl)-N-(6-methylpyridin-3-yl)pyrrolidine-1-carboxamide

• ChemBase ID: 602433
• Molecular Formular: C15H17N3O2
• Molecular Mass: 271.31438
• Monoisotopic Mass: 271.1320768
• SMILES: C(=O)(N1C(c2occc2)CCC1)Nc1cnc(cc1)C
• Canonical SMILES: O=C(N1CCCC1c1ccco1)Nc1ccc(nc1)C
• InChI: InChI=1S/C15H17N3O2/c1-11-6-7-12(10-16-11)17-15(19)18-8-2-4-13(18)14-5-3-9-20-14/h3,5-7,9-10,13H,2,4,8H2,1H3,(H,17,19)
• InChIKey: ZWYRBKRQICOQHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)-N-(6-methylpyridin-3-yl)pyrrolidine-1-carboxamide
• IUPAC Traditional name: 2-(furan-2-yl)-N-(6-methylpyridin-3-yl)pyrrolidine-1-carboxamide
• Synonyms: 2-(2-furyl)-N-(6-methylpyridin-3-yl)pyrrolidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.275141
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3843737
• LogD (pH = 7.4): 1.4872415
• Log P: 1.4887449
• Molar Refractivity: 76.0404 cm^3
• Polarizability: 28.473454 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.57
• LOG S: -2.52
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 2