N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(pyridin-3-yl)piperidine-1-carboxamide

• ChemBase ID: 738793
• Molecular Formular: C20H21N5O2
• Molecular Mass: 363.41304
• Monoisotopic Mass: 363.16952494
• SMILES: C(=O)(N1C(c2cnccc2)CCCC1)Nc1ccc(c2nnc(o2)C)cc1
• Canonical SMILES: O=C(N1CCCCC1c1cccnc1)Nc1ccc(cc1)c1nnc(o1)C
• InChI: InChI=1S/C20H21N5O2/c1-14-23-24-19(27-14)15-7-9-17(10-8-15)22-20(26)25-12-3-2-6-18(25)16-5-4-11-21-13-16/h4-5,7-11,13,18H,2-3,6,12H2,1H3,(H,22,26)
• InChIKey: BFDNXJZNFVAXAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(pyridin-3-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(pyridin-3-yl)piperidine-1-carboxamide
• Synonyms: N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridin-3-ylpiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.704029
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8024161
• LogD (pH = 7.4): 1.8700169
• Log P: 1.8709713
• Molar Refractivity: 114.1269 cm^3
• Polarizability: 38.824783 Å^3
• Polar Surface Area: 84.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.77
• LOG S: -1.21
• Polar Surface Area: 84.15 Å^2
• Rotatable Bonds: 3