N-{[2-(2,3-difluoro-4-methylphenoxy)pyridin-3-yl]methyl}-2-hydroxypyridine-3-carboxamide

• ChemBase ID: 443702
• Molecular Formular: C19H15F2N3O3
• Molecular Mass: 371.3375064
• Monoisotopic Mass: 371.1081478
• SMILES: c1(c(Oc2c(CNC(=O)c3c(nccc3)O)cccn2)ccc(c1F)C)F
• Canonical SMILES: O=C(c1cccnc1O)NCc1cccnc1Oc1ccc(c(c1F)F)C
• InChI: InChI=1S/C19H15F2N3O3/c1-11-6-7-14(16(21)15(11)20)27-19-12(4-2-9-23-19)10-24-18(26)13-5-3-8-22-17(13)25/h2-9H,10H2,1H3,(H,22,25)(H,24,26)
• InChIKey: ASRRXCVMMHGOHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2,3-difluoro-4-methylphenoxy)pyridin-3-yl]methyl}-2-hydroxypyridine-3-carboxamide
• IUPAC Traditional name: N-{[2-(2,3-difluoro-4-methylphenoxy)pyridin-3-yl]methyl}-2-hydroxypyridine-3-carboxamide
• Synonyms: N-{[2-(2,3-difluoro-4-methylphenoxy)pyridin-3-yl]methyl}-2-hydroxynicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.031874
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 4.1710668
• LogD (pH = 7.4): 4.170153
• Log P: 4.1711526
• Molar Refractivity: 94.6546 cm^3
• Polarizability: 34.94841 Å^3
• Polar Surface Area: 84.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.53
• LOG S: -4.07
• Polar Surface Area: 84.34 Å^2
• Rotatable Bonds: 5