2-{[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino}-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide

• ChemBase ID: 673367
• Molecular Formular: C14H18N4O3
• Molecular Mass: 290.31772
• Monoisotopic Mass: 290.13789046
• SMILES: c1(c(nc2c(c1)CCC2)NCCN1C(=O)OCC1)C(=O)N
• Canonical SMILES: O=C1OCCN1CCNc1nc2CCCc2cc1C(=O)N
• InChI: InChI=1S/C14H18N4O3/c15-12(19)10-8-9-2-1-3-11(9)17-13(10)16-4-5-18-6-7-21-14(18)20/h8H,1-7H2,(H2,15,19)(H,16,17)
• InChIKey: RBDDSJHBOFNTSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino}-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
• IUPAC Traditional name: 2-{[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino}-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
• Synonyms: 2-{[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.102239
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.15096067
• LogD (pH = 7.4): 0.8726951
• Log P: 0.8983559
• Molar Refractivity: 77.8891 cm^3
• Polarizability: 28.51368 Å^3
• Polar Surface Area: 97.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.68
• LOG S: -2.75
• Polar Surface Area: 97.55 Å^2
• Rotatable Bonds: 5