ChemSpider 2D Image | N-{3-[(4-{[(2S)-1-Hydroxy-3,3-dimethyl-2-butanyl]carbamoyl}-1-piperidinyl)methyl]phenyl}-6-(trifluoromethyl)-2-pyridinecarboxamide | C26H33F3N4O3

N-{3-[(4-{[(2S)-1-Hydroxy-3,3-dimethyl-2-butanyl]carbamoyl}-1-piperidinyl)methyl]phenyl}-6-(trifluoromethyl)-2-pyridinecarboxamide

  • Molecular FormulaC26H33F3N4O3
  • Average mass506.560 Da
  • Monoisotopic mass506.250488 Da
  • ChemSpider ID76782617

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Pyridinecarboxamide, N-[3-[[4-[[[(1S)-1-(hydroxymethyl)-2,2-dimethylpropyl]amino]carbonyl]-1-piperidinyl]methyl]phenyl]-6-(trifluoromethyl)- [ACD/Index Name]
N-{3-[(4-{[(2S)-1-Hydroxy-3,3-dimethyl-2-butanyl]carbamoyl}-1-piperidinyl)methyl]phenyl}-6-(trifluormethyl)-2-pyridincarboxamid [German] [ACD/IUPAC Name]
N-{3-[(4-{[(2S)-1-Hydroxy-3,3-dimethyl-2-butanyl]carbamoyl}-1-piperidinyl)methyl]phenyl}-6-(trifluoromethyl)-2-pyridinecarboxamide [ACD/IUPAC Name]
N-{3-[(4-{[(2S)-1-Hydroxy-3,3-diméthyl-2-butanyl]carbamoyl}-1-pipéridinyl)méthyl]phényl}-6-(trifluorométhyl)-2-pyridinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 593.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 312.7±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 130.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.08
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 33.05
ACD/KOC (pH 7.4): 299.11
Polar Surface Area: 95 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 402.0±3.0 cm3

Click to predict properties on the Chemicalize site


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