N-(4-ethoxy-2-fluorophenyl)-4-methyl-1,2,3,6-tetrahydropyridine-1-carboxamide

• ChemBase ID: 421933
• Molecular Formular: C15H19FN2O2
• Molecular Mass: 278.3219632
• Monoisotopic Mass: 278.14305608
• SMILES: C(=O)(N1CC=C(CC1)C)Nc1c(cc(cc1)OCC)F
• Canonical SMILES: CCOc1ccc(c(c1)F)NC(=O)N1CCC(=CC1)C
• InChI: InChI=1S/C15H19FN2O2/c1-3-20-12-4-5-14(13(16)10-12)17-15(19)18-8-6-11(2)7-9-18/h4-6,10H,3,7-9H2,1-2H3,(H,17,19)
• InChIKey: FPIUDZFXIHVITP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-ethoxy-2-fluorophenyl)-4-methyl-1,2,3,6-tetrahydropyridine-1-carboxamide
• IUPAC Traditional name: N-(4-ethoxy-2-fluorophenyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
• Synonyms: N-(4-ethoxy-2-fluorophenyl)-4-methyl-3,6-dihydropyridine-1(2H)-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.617967
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5543144
• LogD (pH = 7.4): 2.5542896
• Log P: 2.5543146
• Molar Refractivity: 78.2059 cm^3
• Polarizability: 28.619593 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.66
• LOG S: -3.5
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3