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

• ChemBase ID: 473847
• Molecular Formular: C15H18N4O4
• Molecular Mass: 318.32782
• Monoisotopic Mass: 318.13280508
• SMILES: c1(c(nc2c(c1)CCC2)OC)C(=O)NCCOc1nonc1C
• Canonical SMILES: COc1nc2CCCc2cc1C(=O)NCCOc1nonc1C
• InChI: InChI=1S/C15H18N4O4/c1-9-14(19-23-18-9)22-7-6-16-13(20)11-8-10-4-3-5-12(10)17-15(11)21-2/h8H,3-7H2,1-2H3,(H,16,20)
• InChIKey: GUEMRIUGZHOPHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.404373
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.1064545
• LogD (pH = 7.4): 1.1069928
• Log P: 1.1070001
• Molar Refractivity: 82.9381 cm^3
• Polarizability: 30.400944 Å^3
• Polar Surface Area: 99.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 2.0
• LOG S: -3.23
• Polar Surface Area: 99.37 Å^2
• Rotatable Bonds: 6