2-(2-ethoxypyridin-3-yl)-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide

• ChemBase ID: 484371
• Molecular Formular: C16H17N3O2
• Molecular Mass: 283.32508
• Monoisotopic Mass: 283.1320768
• SMILES: c1(c(cc2c(n1)CCC2)C(=O)N)c1c(nccc1)OCC
• Canonical SMILES: CCOc1ncccc1c1nc2CCCc2cc1C(=O)N
• InChI: InChI=1S/C16H17N3O2/c1-2-21-16-11(6-4-8-18-16)14-12(15(17)20)9-10-5-3-7-13(10)19-14/h4,6,8-9H,2-3,5,7H2,1H3,(H2,17,20)
• InChIKey: ODJAFDLYKXHOMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethoxypyridin-3-yl)-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
• IUPAC Traditional name: 2-(2-ethoxypyridin-3-yl)-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
• Synonyms: 2-(2-ethoxypyridin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.302537
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0949442
• LogD (pH = 7.4): 2.0967891
• Log P: 2.0968127
• Molar Refractivity: 79.5695 cm^3
• Polarizability: 31.32631 Å^3
• Polar Surface Area: 78.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.2
• LOG S: -3.15
• Polar Surface Area: 78.1 Å^2
• Rotatable Bonds: 4