N-ethyl-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 595129
• Molecular Formular: C15H19N7O2
• Molecular Mass: 329.35706
• Monoisotopic Mass: 329.16002288
• SMILES: c12n(nnn1)ccc(C(=O)N(Cc1nc(on1)CC(C)C)CC)c2
• Canonical SMILES: CCN(C(=O)c1ccn2c(c1)nnn2)Cc1noc(n1)CC(C)C
• InChI: InChI=1S/C15H19N7O2/c1-4-21(9-12-16-14(24-18-12)7-10(2)3)15(23)11-5-6-22-13(8-11)17-19-20-22/h5-6,8,10H,4,7,9H2,1-3H3
• InChIKey: ZUNYKLVDSNDTJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-ethyl-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.1258256
• LogD (pH = 7.4): 2.1258256
• Log P: 2.1258256
• Molar Refractivity: 100.7278 cm^3
• Polarizability: 31.99341 Å^3
• Polar Surface Area: 102.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.17
• LOG S: -3.06
• Polar Surface Area: 102.31 Å^2
• Rotatable Bonds: 6