2-(2-phenoxyphenyl)pyridine-4-carboxamide

• ChemBase ID: 516212
• Molecular Formular: C18H14N2O2
• Molecular Mass: 290.31596
• Monoisotopic Mass: 290.1055277
• SMILES: c1(c2c(Oc3ccccc3)cccc2)cc(C(=O)N)ccn1
• Canonical SMILES: NC(=O)c1ccnc(c1)c1ccccc1Oc1ccccc1
• InChI: InChI=1S/C18H14N2O2/c19-18(21)13-10-11-20-16(12-13)15-8-4-5-9-17(15)22-14-6-2-1-3-7-14/h1-12H,(H2,19,21)
• InChIKey: YJVHUXHBCKSCSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenoxyphenyl)pyridine-4-carboxamide
• IUPAC Traditional name: 2-(2-phenoxyphenyl)pyridine-4-carboxamide
• Synonyms: 2-(2-phenoxyphenyl)isonicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.942536
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1394286
• LogD (pH = 7.4): 3.1395748
• Log P: 3.1395764
• Molar Refractivity: 83.9845 cm^3
• Polarizability: 33.57645 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.43
• LOG S: -4.25
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 4