N-(3-methoxypropyl)-2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide

• ChemBase ID: 224476
• Molecular Formular: C13H18N2O3
• Molecular Mass: 250.29362
• Monoisotopic Mass: 250.13174245
• SMILES: c1(c(=O)[nH]c2c(c1)CCC2)C(=O)NCCCOC
• Canonical SMILES: COCCCNC(=O)c1cc2CCCc2[nH]c1=O
• InChI: InChI=1S/C13H18N2O3/c1-18-7-3-6-14-12(16)10-8-9-4-2-5-11(9)15-13(10)17/h8H,2-7H2,1H3,(H,14,16)(H,15,17)
• InChIKey: GEGPSIGPBHRNJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxypropyl)-2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
• IUPAC Traditional name: N-(3-methoxypropyl)-2-oxo-1H,5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide

Database IDs

• PubChem SID: 164280386
• PubChem CID: 51052405

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): -0.46195352
• LogD (pH = 7.4): -0.46205184
• Log P: -0.46194685
• Molar Refractivity: 69.5703 cm^3
• Polarizability: 25.872047 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 10.96432
• H Acceptors: 3

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds