N-[2-(2-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 504897
• Molecular Formular: C19H23FN2O4
• Molecular Mass: 362.3953232
• Monoisotopic Mass: 362.16418545
• SMILES: c1(c(=O)[nH]c(c(c1)C)C)C(=O)N(CCOc1c(F)cccc1)CCOC
• Canonical SMILES: COCCN(C(=O)c1cc(C)c([nH]c1=O)C)CCOc1ccccc1F
• InChI: InChI=1S/C19H23FN2O4/c1-13-12-15(18(23)21-14(13)2)19(24)22(8-10-25-3)9-11-26-17-7-5-4-6-16(17)20/h4-7,12H,8-11H2,1-3H3,(H,21,23)
• InChIKey: XWPFRLUERYYIFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[2-(2-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-[2-(2-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.002574
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.429723
• LogD (pH = 7.4): 1.4296285
• Log P: 1.4297246
• Molar Refractivity: 97.6484 cm^3
• Polarizability: 36.555958 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.44
• LOG S: -3.07
• Polar Surface Area: 71.63 Å^2
• Rotatable Bonds: 8