2-[6-oxo-4-(pyrrolidin-1-yl)-1,6-dihydropyridazin-1-yl]-N-[2-(pyridin-3-yloxy)ethyl]acetamide

• ChemBase ID: 330790
• Molecular Formular: C17H21N5O3
• Molecular Mass: 343.38034
• Monoisotopic Mass: 343.16443956
• SMILES: n1(c(=O)cc(cn1)N1CCCC1)CC(=O)NCCOc1cnccc1
• Canonical SMILES: O=C(Cn1ncc(cc1=O)N1CCCC1)NCCOc1cccnc1
• InChI: InChI=1S/C17H21N5O3/c23-16(19-6-9-25-15-4-3-5-18-12-15)13-22-17(24)10-14(11-20-22)21-7-1-2-8-21/h3-5,10-12H,1-2,6-9,13H2,(H,19,23)
• InChIKey: GGBRHUNGHJOUEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[6-oxo-4-(pyrrolidin-1-yl)-1,6-dihydropyridazin-1-yl]-N-[2-(pyridin-3-yloxy)ethyl]acetamide
• IUPAC Traditional name: 2-[6-oxo-4-(pyrrolidin-1-yl)pyridazin-1-yl]-N-[2-(pyridin-3-yloxy)ethyl]acetamide
• Synonyms: 2-[6-oxo-4-(1-pyrrolidinyl)-1(6H)-pyridazinyl]-N-[2-(3-pyridinyloxy)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.861555
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.7400647
• LogD (pH = 7.4): -0.6717458
• Log P: -0.6707822
• Molar Refractivity: 93.2916 cm^3
• Polarizability: 34.839863 Å^3
• Polar Surface Area: 87.13 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.46
• LOG S: -2.62
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 7