N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[6-oxo-4-(pyrrolidin-1-yl)-1,6-dihydropyridazin-1-yl]acetamide

• ChemBase ID: 663536
• Molecular Formular: C16H20N6O3
• Molecular Mass: 344.3684
• Monoisotopic Mass: 344.15968853
• SMILES: n1c(onc1CNC(=O)Cn1c(=O)cc(cn1)N1CCCC1)C1CC1
• Canonical SMILES: O=C(Cn1ncc(cc1=O)N1CCCC1)NCc1noc(n1)C1CC1
• InChI: InChI=1S/C16H20N6O3/c23-14(17-9-13-19-16(25-20-13)11-3-4-11)10-22-15(24)7-12(8-18-22)21-5-1-2-6-21/h7-8,11H,1-6,9-10H2,(H,17,23)
• InChIKey: KXDUILVURQTVBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[6-oxo-4-(pyrrolidin-1-yl)-1,6-dihydropyridazin-1-yl]acetamide
• IUPAC Traditional name: N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[6-oxo-4-(pyrrolidin-1-yl)pyridazin-1-yl]acetamide
• Synonyms: N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[6-oxo-4-(1-pyrrolidinyl)-1(6H)-pyridazinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.351539
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.06762953
• LogD (pH = 7.4): 0.0676252
• Log P: 0.06762964
• Molar Refractivity: 91.4756 cm^3
• Polarizability: 33.13065 Å^3
• Polar Surface Area: 103.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -1.6
• LOG S: -1.65
• Polar Surface Area: 106.15 Å^2
• Rotatable Bonds: 6