1-(cyclopentylmethyl)-N-[2-(pyridin-3-yloxy)phenyl]pyrrolidine-2-carboxamide

• ChemBase ID: 579820
• Molecular Formular: C22H27N3O2
• Molecular Mass: 365.46868
• Monoisotopic Mass: 365.21032712
• SMILES: N1(C(C(=O)Nc2c(Oc3cnccc3)cccc2)CCC1)CC1CCCC1
• Canonical SMILES: O=C(C1CCCN1CC1CCCC1)Nc1ccccc1Oc1cccnc1
• InChI: InChI=1S/C22H27N3O2/c26-22(20-11-6-14-25(20)16-17-7-1-2-8-17)24-19-10-3-4-12-21(19)27-18-9-5-13-23-15-18/h3-5,9-10,12-13,15,17,20H,1-2,6-8,11,14,16H2,(H,24,26)
• InChIKey: YHGZVXWMCIIZJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopentylmethyl)-N-[2-(pyridin-3-yloxy)phenyl]pyrrolidine-2-carboxamide
• IUPAC Traditional name: 1-(cyclopentylmethyl)-N-[2-(pyridin-3-yloxy)phenyl]pyrrolidine-2-carboxamide
• Synonyms: 1-(cyclopentylmethyl)-N-[2-(3-pyridinyloxy)phenyl]prolinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.800067
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9246028
• LogD (pH = 7.4): 2.742581
• Log P: 3.6725378
• Molar Refractivity: 106.8642 cm^3
• Polarizability: 41.284065 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.83
• LOG S: -3.83
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6