N-[2-(2-fluorophenoxy)ethyl]-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 318087
• Molecular Formular: C17H19FN2O3
• Molecular Mass: 318.3427632
• Monoisotopic Mass: 318.1379707
• SMILES: c1(c(=O)n(c(cc1C)C)C)C(=O)NCCOc1c(F)cccc1
• Canonical SMILES: O=C(c1c(C)cc(n(c1=O)C)C)NCCOc1ccccc1F
• InChI: InChI=1S/C17H19FN2O3/c1-11-10-12(2)20(3)17(22)15(11)16(21)19-8-9-23-14-7-5-4-6-13(14)18/h4-7,10H,8-9H2,1-3H3,(H,19,21)
• InChIKey: OGUFPYCLMUPQDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-fluorophenoxy)ethyl]-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[2-(2-fluorophenoxy)ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
• Synonyms: N-[2-(2-fluorophenoxy)ethyl]-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.389351
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4766998
• LogD (pH = 7.4): 1.4767
• Log P: 1.4767001
• Molar Refractivity: 86.6049 cm^3
• Polarizability: 32.16495 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.69
• LOG S: -2.96
• Polar Surface Area: 60.33 Å^2
• Rotatable Bonds: 5