N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(morpholin-4-yl)pyridine-3-carboxamide

• ChemBase ID: 669032
• Molecular Formular: C16H20N4O2S
• Molecular Mass: 332.4206
• Monoisotopic Mass: 332.1306969
• SMILES: n1c(scc1CC)CNC(=O)c1cnc(N2CCOCC2)cc1
• Canonical SMILES: CCc1csc(n1)CNC(=O)c1ccc(nc1)N1CCOCC1
• InChI: InChI=1S/C16H20N4O2S/c1-2-13-11-23-15(19-13)10-18-16(21)12-3-4-14(17-9-12)20-5-7-22-8-6-20/h3-4,9,11H,2,5-8,10H2,1H3,(H,18,21)
• InChIKey: FEWJAGFKJMWWJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(morpholin-4-yl)pyridine-3-carboxamide
• IUPAC Traditional name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(morpholin-4-yl)pyridine-3-carboxamide
• Synonyms: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(4-morpholinyl)nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.299105
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.5210007
• LogD (pH = 7.4): 1.6010987
• Log P: 1.602229
• Molar Refractivity: 90.0592 cm^3
• Polarizability: 33.59312 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.82
• LOG S: -4.55
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 4