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

• ChemBase ID: 708680
• Molecular Formular: C17H22N4O3
• Molecular Mass: 330.38158
• Monoisotopic Mass: 330.16919058
• SMILES: c1(C(=O)N(Cc2nc(on2)C)C(C)C)c(nc2c(c1)CCC2)OC
• Canonical SMILES: COc1nc2CCCc2cc1C(=O)N(C(C)C)Cc1noc(n1)C
• InChI: InChI=1S/C17H22N4O3/c1-10(2)21(9-15-18-11(3)24-20-15)17(22)13-8-12-6-5-7-14(12)19-16(13)23-4/h8,10H,5-7,9H2,1-4H3
• InChIKey: BLLNLXKRYRRJOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.2820525
• LogD (pH = 7.4): 2.2825756
• Log P: 2.2825823
• Molar Refractivity: 90.3545 cm^3
• Polarizability: 33.32228 Å^3
• Polar Surface Area: 81.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.94
• LOG S: -3.28
• Polar Surface Area: 81.35 Å^2
• Rotatable Bonds: 3