ChemSpider 2D Image | 6-Methyl-1-(3-methylphenyl)-5-(1-methyl-1H-pyrazol-5-yl)-N-{[5-(methylsulfonyl)-2-pyridinyl]methyl}-2-oxo-1,2-dihydro-3-pyridinecarboxamide | C25H25N5O4S

6-Methyl-1-(3-methylphenyl)-5-(1-methyl-1H-pyrazol-5-yl)-N-{[5-(methylsulfonyl)-2-pyridinyl]methyl}-2-oxo-1,2-dihydro-3-pyridinecarboxamide

  • Molecular FormulaC25H25N5O4S
  • Average mass491.562 Da
  • Monoisotopic mass491.162720 Da
  • ChemSpider ID32698147

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Pyridinecarboxamide, 1,2-dihydro-6-methyl-1-(3-methylphenyl)-5-(1-methyl-1H-pyrazol-5-yl)-N-[[5-(methylsulfonyl)-2-pyridinyl]methyl]-2-oxo- [ACD/Index Name]
6-Methyl-1-(3-methylphenyl)-5-(1-methyl-1H-pyrazol-5-yl)-N-{[5-(methylsulfonyl)-2-pyridinyl]methyl}-2-oxo-1,2-dihydro-3-pyridincarboxamid [German] [ACD/IUPAC Name]
6-Methyl-1-(3-methylphenyl)-5-(1-methyl-1H-pyrazol-5-yl)-N-{[5-(methylsulfonyl)-2-pyridinyl]methyl}-2-oxo-1,2-dihydro-3-pyridinecarboxamide [ACD/IUPAC Name]
6-Méthyl-1-(3-méthylphényl)-5-(1-méthyl-1H-pyrazol-5-yl)-N-{[5-(méthylsulfonyl)-2-pyridinyl]méthyl}-2-oxo-1,2-dihydro-3-pyridinecarboxamide [French] [ACD/IUPAC Name]
6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonylpyridin-2-yl)methyl]-2-oxopyridine-3-carboxamide
848141-11-7 [RN]
Alvelestat [INN]
UNII:6Y5629322X
UNII-6Y5629322X

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 796.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 435.3±32.9 °C
Index of Refraction: 1.658
Molar Refractivity: 135.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.39
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.76
ACD/KOC (pH 5.5): 72.02
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.77
ACD/KOC (pH 7.4): 72.09
Polar Surface Area: 123 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 367.6±7.0 cm3

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