ChemSpider 2D Image | 6-{[(4aS,8aS)-4-Hydroxy-4-phenyloctahydro-1(2H)-quinolinyl]methyl}-2-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1,2-dihydro-3-pyridinecarboxamide | C29H37N5O3

6-{[(4aS,8aS)-4-Hydroxy-4-phenyloctahydro-1(2H)-quinolinyl]methyl}-2-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1,2-dihydro-3-pyridinecarboxamide

  • Molecular FormulaC29H37N5O3
  • Average mass503.636 Da
  • Monoisotopic mass503.289642 Da
  • ChemSpider ID22860771

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-Pyridinecarboxamide, 1,2-dihydro-6-[[(4aS,8aS)-octahydro-4-hydroxy-4-phenyl-1(2H)-quinolinyl]methyl]-2-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]- [ACD/Index Name]
6-{[(4aS,8aS)-4-Hydroxy-4-phenyloctahydro-1(2H)-chinolinyl]methyl}-2-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1,2-dihydro-3-pyridincarboxamid [German] [ACD/IUPAC Name]
6-{[(4aS,8aS)-4-Hydroxy-4-phényloctahydro-1(2H)-quinoléinyl]méthyl}-2-oxo-N-[(1,3,5-triméthyl-1H-pyrazol-4-yl)méthyl]-1,2-dihydro-3-pyridinecarboxamide [French] [ACD/IUPAC Name]
6-{[(4aS,8aS)-4-Hydroxy-4-phenyloctahydro-1(2H)-quinolinyl]methyl}-2-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1,2-dihydro-3-pyridinecarboxamide [ACD/IUPAC Name]
6-{[(4S*,4aS*,8aS*)-4-hydroxy-4-phenyloctahydro-1(2H)-quinolinyl]methyl}-2-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1,2-dihydro-3-pyridinecarboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 801.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 438.8±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 143.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.94
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.72
Polar Surface Area: 99 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 386.5±7.0 cm3

Click to predict properties on the Chemicalize site


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