4-{furo[3,2-c]pyridin-4-yl}benzamide

• ChemBase ID: 479187
• Molecular Formular: C14H10N2O2
• Molecular Mass: 238.2414
• Monoisotopic Mass: 238.07422757
• SMILES: c12c(nccc1occ2)c1ccc(C(=O)N)cc1
• Canonical SMILES: NC(=O)c1ccc(cc1)c1nccc2c1cco2
• InChI: InChI=1S/C14H10N2O2/c15-14(17)10-3-1-9(2-4-10)13-11-6-8-18-12(11)5-7-16-13/h1-8H,(H2,15,17)
• InChIKey: IHMNZYAYRXLTJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{furo[3,2-c]pyridin-4-yl}benzamide
• IUPAC Traditional name: 4-{furo[3,2-c]pyridin-4-yl}benzamide
• Synonyms: 4-furo[3,2-c]pyridin-4-ylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.188822
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7945523
• LogD (pH = 7.4): 1.798364
• Log P: 1.7984128
• Molar Refractivity: 66.5848 cm^3
• Polarizability: 27.629465 Å^3
• Polar Surface Area: 69.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.94
• LOG S: -2.6
• Polar Surface Area: 69.12 Å^2
• Rotatable Bonds: 2