N-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1-ethyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 394008
• Molecular Formular: C19H23ClN2O4
• Molecular Mass: 378.84992
• Monoisotopic Mass: 378.13463491
• SMILES: c1(c(=O)n(c(cc1C)C)CC)C(=O)NCC(COc1ccc(Cl)cc1)O
• Canonical SMILES: CCn1c(C)cc(c(c1=O)C(=O)NCC(COc1ccc(cc1)Cl)O)C
• InChI: InChI=1S/C19H23ClN2O4/c1-4-22-13(3)9-12(2)17(19(22)25)18(24)21-10-15(23)11-26-16-7-5-14(20)6-8-16/h5-9,15,23H,4,10-11H2,1-3H3,(H,21,24)
• InChIKey: UYKDTWUEEDBKSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.906848
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6645155
• LogD (pH = 7.4): 1.6645156
• Log P: 1.6645157
• Molar Refractivity: 101.9044 cm^3
• Polarizability: 38.66944 Å^3
• Polar Surface Area: 78.87 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.39
• LOG S: -4.0
• Polar Surface Area: 80.56 Å^2
• Rotatable Bonds: 7