N-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]-2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide

• ChemBase ID: 721365
• Molecular Formular: C19H25N5O4
• Molecular Mass: 387.4329
• Monoisotopic Mass: 387.19065431
• SMILES: n1(c(=O)cc(cn1)N1CCOCC1)CC(=O)NCc1c(nc(cc1C)C)OC
• Canonical SMILES: COc1nc(C)cc(c1CNC(=O)Cn1ncc(cc1=O)N1CCOCC1)C
• InChI: InChI=1S/C19H25N5O4/c1-13-8-14(2)22-19(27-3)16(13)11-20-17(25)12-24-18(26)9-15(10-21-24)23-4-6-28-7-5-23/h8-10H,4-7,11-12H2,1-3H3,(H,20,25)
• InChIKey: MUVANWVUVXVPHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]-2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide
• IUPAC Traditional name: N-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]-2-[4-(morpholin-4-yl)-6-oxopyridazin-1-yl]acetamide
• Synonyms: N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-[4-(4-morpholinyl)-6-oxo-1(6H)-pyridazinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.838504
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -0.15961018
• LogD (pH = 7.4): -0.13342331
• Log P: -0.13307877
• Molar Refractivity: 105.2949 cm^3
• Polarizability: 39.081547 Å^3
• Polar Surface Area: 96.36 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: -0.37
• LOG S: -3.02
• Polar Surface Area: 98.58 Å^2
• Rotatable Bonds: 6