N-ethyl-1-methyl-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}-6-oxo-1,6-dihydropyridazine-3-carboxamide

• ChemBase ID: 686003
• Molecular Formular: C15H21N5O3
• Molecular Mass: 319.35894
• Monoisotopic Mass: 319.16443956
• SMILES: c1(nn(c(=O)cc1)C)C(=O)N(Cc1nc(on1)CC(C)C)CC
• Canonical SMILES: CCN(C(=O)c1ccc(=O)n(n1)C)Cc1noc(n1)CC(C)C
• InChI: InChI=1S/C15H21N5O3/c1-5-20(9-12-16-13(23-18-12)8-10(2)3)15(22)11-6-7-14(21)19(4)17-11/h6-7,10H,5,8-9H2,1-4H3
• InChIKey: SHPRQMQABUGMOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-1-methyl-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}-6-oxo-1,6-dihydropyridazine-3-carboxamide
• IUPAC Traditional name: N-ethyl-1-methyl-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}-6-oxopyridazine-3-carboxamide
• Synonyms: N-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.5545421
• LogD (pH = 7.4): 1.5545421
• Log P: 1.5545421
• Molar Refractivity: 86.4498 cm^3
• Polarizability: 31.563786 Å^3
• Polar Surface Area: 91.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.03
• LOG S: -2.87
• Polar Surface Area: 94.12 Å^2
• Rotatable Bonds: 6