N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-5-methoxy-4-oxo-4H-pyran-2-carboxamide

• ChemBase ID: 583476
• Molecular Formular: C19H15FN2O5
• Molecular Mass: 370.3312032
• Monoisotopic Mass: 370.09649981
• SMILES: c1(cc(=O)c(co1)OC)C(=O)NCc1c(Oc2c(F)cccc2)nccc1
• Canonical SMILES: COc1coc(cc1=O)C(=O)NCc1cccnc1Oc1ccccc1F
• InChI: InChI=1S/C19H15FN2O5/c1-25-17-11-26-16(9-14(17)23)18(24)22-10-12-5-4-8-21-19(12)27-15-7-3-2-6-13(15)20/h2-9,11H,10H2,1H3,(H,22,24)
• InChIKey: DFLSEBHXFMSBMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-5-methoxy-4-oxo-4H-pyran-2-carboxamide
• IUPAC Traditional name: N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-5-methoxy-4-oxopyran-2-carboxamide
• Synonyms: N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-5-methoxy-4-oxo-4H-pyran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.450468
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.2457352
• LogD (pH = 7.4): 2.2457857
• Log P: 2.24579
• Molar Refractivity: 95.9047 cm^3
• Polarizability: 35.69693 Å^3
• Polar Surface Area: 86.75 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.63
• LOG S: -2.44
• Polar Surface Area: 90.66 Å^2
• Rotatable Bonds: 6