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

• ChemBase ID: 543812
• Molecular Formular: C19H19N5O3
• Molecular Mass: 365.38586
• Monoisotopic Mass: 365.14878949
• SMILES: c1(C(=O)N(Cc2nc(no2)c2cnccc2)C)c(nc2c(c1)CCC2)OC
• Canonical SMILES: COc1nc2CCCc2cc1C(=O)N(Cc1onc(n1)c1cccnc1)C
• InChI: InChI=1S/C19H19N5O3/c1-24(11-16-22-17(23-27-16)13-6-4-8-20-10-13)19(25)14-9-12-5-3-7-15(12)21-18(14)26-2/h4,6,8-10H,3,5,7,11H2,1-2H3
• InChIKey: USAKZSYEIBSZJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.1255677
• LogD (pH = 7.4): 2.1317964
• Log P: 2.1318762
• Molar Refractivity: 109.8169 cm^3
• Polarizability: 37.235252 Å^3
• Polar Surface Area: 94.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.47
• LOG S: -3.97
• Polar Surface Area: 94.24 Å^2
• Rotatable Bonds: 5