ChemSpider 2D Image | 3-Fluoro-N-[4-({6-[(4-methyl-2-pyridinyl)amino]-4-pyrimidinyl}amino)phenyl]isonicotinamide | C22H18FN7O

3-Fluoro-N-[4-({6-[(4-methyl-2-pyridinyl)amino]-4-pyrimidinyl}amino)phenyl]isonicotinamide

  • Molecular FormulaC22H18FN7O
  • Average mass415.423 Da
  • Monoisotopic mass415.155701 Da
  • ChemSpider ID58430128

More details:






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

3-Fluor-N-[4-({6-[(4-methyl-2-pyridinyl)amino]-4-pyrimidinyl}amino)phenyl]isonicotinamid [German] [ACD/IUPAC Name]
3-Fluoro-N-[4-({6-[(4-methyl-2-pyridinyl)amino]-4-pyrimidinyl}amino)phenyl]isonicotinamide [ACD/IUPAC Name]
3-Fluoro-N-[4-({6-[(4-méthyl-2-pyridinyl)amino]-4-pyrimidinyl}amino)phényl]isonicotinamide [French] [ACD/IUPAC Name]
4-Pyridinecarboxamide, 3-fluoro-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]-4-pyrimidinyl]amino]phenyl]- [ACD/Index Name]
3-fluoro-N-(4-((6-((4-methylpyridin-2-yl)amino)pyrimidin-4-yl)amino)phenyl)isonicotinamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 566.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.5±30.1 °C
Index of Refraction: 1.726
Molar Refractivity: 116.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 58.92
ACD/KOC (pH 5.5): 532.88
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 113.23
ACD/KOC (pH 7.4): 1024.04
Polar Surface Area: 105 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 71.7±3.0 dyne/cm
Molar Volume: 293.8±3.0 cm3

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