ChemSpider 2D Image | N-{2-[Cyclohexyl(methyl)amino]ethyl}-4-[(1R,3aS,10aR,10bS)-2-(3-pyridinylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide | C30H47N5O2

N-{2-[Cyclohexyl(methyl)amino]ethyl}-4-[(1R,3aS,10aR,10bS)-2-(3-pyridinylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide

  • Molecular FormulaC30H47N5O2
  • Average mass509.727 Da
  • Monoisotopic mass509.372986 Da
  • ChemSpider ID65153116

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1H,4H-Pyrido[3,2,1-ij][1,6]naphthyridine-1-butanamide, N-[2-(cyclohexylmethylamino)ethyl]decahydro-2-(3-pyridinylcarbonyl)-, (1R,3aS,10aR,10bS)- [ACD/Index Name]
N-{2-[Cyclohexyl(methyl)amino]ethyl}-4-[(1R,3aS,10aR,10bS)-2-(3-pyridinylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamid [German] [ACD/IUPAC Name]
N-{2-[Cyclohexyl(methyl)amino]ethyl}-4-[(1R,3aS,10aR,10bS)-2-(3-pyridinylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide [ACD/IUPAC Name]
N-{2-[Cyclohexyl(méthyl)amino]éthyl}-4-[(1R,3aS,10aR,10bS)-2-(3-pyridinylcarbonyl)décahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphtyridin-1-yl]butanamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 704.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 379.8±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 147.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.57
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 69 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 438.0±5.0 cm3

Click to predict properties on the Chemicalize site


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