N-(6-fluoropyridin-3-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide

• ChemBase ID: 497422
• Molecular Formular: C17H19FN4O2
• Molecular Mass: 330.3567632
• Monoisotopic Mass: 330.14920409
• SMILES: C(=O)(N1CCC(CC1)OCc1cnccc1)Nc1cnc(F)cc1
• Canonical SMILES: O=C(N1CCC(CC1)OCc1cccnc1)Nc1ccc(nc1)F
• InChI: InChI=1S/C17H19FN4O2/c18-16-4-3-14(11-20-16)21-17(23)22-8-5-15(6-9-22)24-12-13-2-1-7-19-10-13/h1-4,7,10-11,15H,5-6,8-9,12H2,(H,21,23)
• InChIKey: CPVIDOHPISSYFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-fluoropyridin-3-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
• IUPAC Traditional name: N-(6-fluoropyridin-3-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
• Synonyms: N-(6-fluoropyridin-3-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.246601
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0515605
• LogD (pH = 7.4): 1.1108785
• Log P: 1.1117097
• Molar Refractivity: 89.3965 cm^3
• Polarizability: 33.01852 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.89
• LOG S: -1.07
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 4