N-cyclopropyl-N-({4-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)pyridine-2-carboxamide

• ChemBase ID: 481407
• Molecular Formular: C24H23FN2O2
• Molecular Mass: 390.4500232
• Monoisotopic Mass: 390.17435621
• SMILES: N(C(=O)c1ncccc1)(C1CC1)Cc1ccc(cc1)OCCc1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)CCOc1ccc(cc1)CN(C(=O)c1ccccn1)C1CC1
• InChI: InChI=1S/C24H23FN2O2/c25-20-8-4-18(5-9-20)14-16-29-22-12-6-19(7-13-22)17-27(21-10-11-21)24(28)23-3-1-2-15-26-23/h1-9,12-13,15,21H,10-11,14,16-17H2
• InChIKey: WUNVHJBZGRLOID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-({4-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)pyridine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-N-({4-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)pyridine-2-carboxamide
• Synonyms: N-cyclopropyl-N-{4-[2-(4-fluorophenyl)ethoxy]benzyl}-2-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.6276035
• LogD (pH = 7.4): 4.627619
• Log P: 4.627619
• Molar Refractivity: 110.2719 cm^3
• Polarizability: 42.021828 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.2
• LOG S: -5.81
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 8