2-methoxy-N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide

• ChemBase ID: 641007
• Molecular Formular: C17H22N4O4
• Molecular Mass: 346.38098
• Monoisotopic Mass: 346.1641052
• SMILES: c1(C(=O)N(Cc2nc(no2)CCOC)C)c(nc2c(c1)CCC2)OC
• Canonical SMILES: COCCc1noc(n1)CN(C(=O)c1cc2CCCc2nc1OC)C
• InChI: InChI=1S/C17H22N4O4/c1-21(10-15-19-14(20-25-15)7-8-23-2)17(22)12-9-11-5-4-6-13(11)18-16(12)24-3/h9H,4-8,10H2,1-3H3
• InChIKey: NGKAMRJBBGMLNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
• IUPAC Traditional name: 2-methoxy-N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
• Synonyms: 2-methoxy-N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.4829814
• LogD (pH = 7.4): 1.4835076
• Log P: 1.4835143
• Molar Refractivity: 92.3399 cm^3
• Polarizability: 34.05637 Å^3
• Polar Surface Area: 90.58 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.05
• LOG S: -2.62
• Polar Surface Area: 90.58 Å^2
• Rotatable Bonds: 7