2-hydroxy-4-methyl-N-({2-[(6-methylpyridin-3-yl)oxy]pyridin-3-yl}methyl)benzamide

• ChemBase ID: 559685
• Molecular Formular: C20H19N3O3
• Molecular Mass: 349.38316
• Monoisotopic Mass: 349.14264148
• SMILES: c1(C(=O)NCc2c(Oc3cnc(cc3)C)nccc2)c(cc(cc1)C)O
• Canonical SMILES: Cc1ccc(cn1)Oc1ncccc1CNC(=O)c1ccc(cc1O)C
• InChI: InChI=1S/C20H19N3O3/c1-13-5-8-17(18(24)10-13)19(25)23-11-15-4-3-9-21-20(15)26-16-7-6-14(2)22-12-16/h3-10,12,24H,11H2,1-2H3,(H,23,25)
• InChIKey: LHMKYIJJORHSHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-4-methyl-N-({2-[(6-methylpyridin-3-yl)oxy]pyridin-3-yl}methyl)benzamide
• IUPAC Traditional name: 2-hydroxy-4-methyl-N-({2-[(6-methylpyridin-3-yl)oxy]pyridin-3-yl}methyl)benzamide
• Synonyms: 2-hydroxy-4-methyl-N-({2-[(6-methylpyridin-3-yl)oxy]pyridin-3-yl}methyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.292283
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.2849808
• LogD (pH = 7.4): 3.3686059
• Log P: 3.4226613
• Molar Refractivity: 98.4998 cm^3
• Polarizability: 37.264404 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: 3.32
• LOG S: -4.0
• Polar Surface Area: 84.34 Å^2
• Rotatable Bonds: 5