N-cyclopropyl-2-({2-methoxy-5H,6H,7H-cyclopenta[b]pyridin-3-yl}formamido)acetamide

• ChemBase ID: 477949
• Molecular Formular: C15H19N3O3
• Molecular Mass: 289.32966
• Monoisotopic Mass: 289.14264148
• SMILES: c1(c(nc2c(c1)CCC2)OC)C(=O)NCC(=O)NC1CC1
• Canonical SMILES: COc1nc2CCCc2cc1C(=O)NCC(=O)NC1CC1
• InChI: InChI=1S/C15H19N3O3/c1-21-15-11(7-9-3-2-4-12(9)18-15)14(20)16-8-13(19)17-10-5-6-10/h7,10H,2-6,8H2,1H3,(H,16,20)(H,17,19)
• InChIKey: YREAIQKSWDFSHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-({2-methoxy-5H,6H,7H-cyclopenta[b]pyridin-3-yl}formamido)acetamide
• IUPAC Traditional name: N-cyclopropyl-2-({2-methoxy-5H,6H,7H-cyclopenta[b]pyridin-3-yl}formamido)acetamide
• Synonyms: N-[2-(cyclopropylamino)-2-oxoethyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.353292
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.50801617
• LogD (pH = 7.4): 0.50855154
• Log P: 0.5085588
• Molar Refractivity: 77.125 cm^3
• Polarizability: 29.171484 Å^3
• Polar Surface Area: 80.32 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: 1.17
• LOG S: -2.31
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 5