ChemSpider 2D Image | 4-Methyl-N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-3-{[3-(4-pyrimidinyl)-2-pyridinyl]amino}benzamide | C29H27F3N6O

4-Methyl-N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-3-{[3-(4-pyrimidinyl)-2-pyridinyl]amino}benzamide

  • Molecular FormulaC29H27F3N6O
  • Average mass532.560 Da
  • Monoisotopic mass532.219849 Da
  • ChemSpider ID9852904

More details:

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

4-Methyl-N-[2-(1-piperidinyl)-5-(trifluormethyl)phenyl]-3-{[3-(4-pyrimidinyl)-2-pyridinyl]amino}benzamid [German] [ACD/IUPAC Name]
4-Methyl-N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-3-{[3-(4-pyrimidinyl)-2-pyridinyl]amino}benzamide [ACD/IUPAC Name]
4-Méthyl-N-[2-(1-pipéridinyl)-5-(trifluorométhyl)phényl]-3-{[3-(4-pyrimidinyl)-2-pyridinyl]amino}benzamide [French] [ACD/IUPAC Name]
4-methyl-N-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]-3-{[3-(pyrimidin-4-yl)pyridin-2-yl]amino}benzamide
Benzamide, 4-methyl-N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-3-[[3-(4-pyrimidinyl)-2-pyridinyl]amino]- [ACD/Index Name]
4-methyl-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)benzamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL373682/
pyridinyl pyrimidine 41

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 617.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.5±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 143.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 12823.54
ACD/KOC (pH 5.5): 30087.95
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 13209.56
ACD/KOC (pH 7.4): 30993.66
Polar Surface Area: 83 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 401.4±3.0 cm3

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