2-[4-(dimethylamino)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[4-(pyridin-2-yl)butyl]acetamide

• ChemBase ID: 398442
• Molecular Formular: C17H23N5O2
• Molecular Mass: 329.39682
• Monoisotopic Mass: 329.185175
• SMILES: n1(c(=O)cc(cn1)N(C)C)CC(=O)NCCCCc1ncccc1
• Canonical SMILES: O=C(Cn1ncc(cc1=O)N(C)C)NCCCCc1ccccn1
• InChI: InChI=1S/C17H23N5O2/c1-21(2)15-11-17(24)22(20-12-15)13-16(23)19-10-6-4-8-14-7-3-5-9-18-14/h3,5,7,9,11-12H,4,6,8,10,13H2,1-2H3,(H,19,23)
• InChIKey: FBQFTYWEBJPEAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(dimethylamino)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[4-(pyridin-2-yl)butyl]acetamide
• IUPAC Traditional name: 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[4-(pyridin-2-yl)butyl]acetamide
• Synonyms: 2-[4-(dimethylamino)-6-oxo-1(6H)-pyridazinyl]-N-[4-(2-pyridinyl)butyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.19735
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.2770549
• LogD (pH = 7.4): 0.049041476
• Log P: 0.05555836
• Molar Refractivity: 93.3442 cm^3
• Polarizability: 34.778793 Å^3
• Polar Surface Area: 77.9 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.82
• LOG S: -0.91
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 8