N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-1,8-naphthyridine-2-carboxamide

• ChemBase ID: 421255
• Molecular Formular: C21H15FN4O2
• Molecular Mass: 374.3678032
• Monoisotopic Mass: 374.11790396
• SMILES: n1c2ncccc2ccc1C(=O)NCc1c(Oc2c(F)cccc2)nccc1
• Canonical SMILES: O=C(c1ccc2c(n1)nccc2)NCc1cccnc1Oc1ccccc1F
• InChI: InChI=1S/C21H15FN4O2/c22-16-7-1-2-8-18(16)28-21-15(6-4-12-24-21)13-25-20(27)17-10-9-14-5-3-11-23-19(14)26-17/h1-12H,13H2,(H,25,27)
• InChIKey: IVSPPRHHPOMWPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-1,8-naphthyridine-2-carboxamide
• IUPAC Traditional name: N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-1,8-naphthyridine-2-carboxamide
• Synonyms: N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-1,8-naphthyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.361146
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.4425898
• LogD (pH = 7.4): 3.4426458
• Log P: 3.4426467
• Molar Refractivity: 102.2247 cm^3
• Polarizability: 38.739197 Å^3
• Polar Surface Area: 77.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.24
• LOG S: -3.84
• Polar Surface Area: 77.0 Å^2
• Rotatable Bonds: 5