Found 1 result

Search term: XAMCCSYNPOEISO-DLBZAZTESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 6-{[(1R,2S)-2-Aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]nicotinamide | C20H24N6O

6-{[(1R,2S)-2-Aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]nicotinamide

  • Molecular FormulaC20H24N6O
  • Average mass364.444 Da
  • Monoisotopic mass364.201172 Da
  • ChemSpider ID128438010

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Pyridinecarboxamide, 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[(3-methylphenyl)amino]- [ACD/Index Name]
6-{[(1R,2S)-2-Aminocyclohexyl]amino}-5-cyan-2-[(3-methylphenyl)amino]nicotinamid [German] [ACD/IUPAC Name]
6-{[(1R,2S)-2-Aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]nicotinamide [ACD/IUPAC Name]
6-{[(1R,2S)-2-Aminocyclohexyl]amino}-5-cyano-2-[(3-méthylphényl)amino]nicotinamide [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: 556.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 290.1±30.1 °C
Index of Refraction: 1.650
Molar Refractivity: 103.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.60
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 3.95
ACD/KOC (pH 7.4): 30.54
Polar Surface Area: 130 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 283.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement