ChemSpider 2D Image | N-{6-Cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydro-3-quinolinyl}-N-{[1-(2,2-dimethylpropanoyl)-4-piperidinyl]methyl}-2-pyridinesulfonamide | C31H39N7O3S

N-{6-Cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydro-3-quinolinyl}-N-{[1-(2,2-dimethylpropanoyl)-4-piperidinyl]methyl}-2-pyridinesulfonamide

  • Molecular FormulaC31H39N7O3S
  • Average mass589.752 Da
  • Monoisotopic mass589.283508 Da
  • ChemSpider ID23291460

More details:

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

2-Pyridinesulfonamide, N-[6-cyano-1,2,3,4-tetrahydro-1-[(1-methyl-1H-imidazol-5-yl)methyl]-3-quinolinyl]-N-[[1-(2,2-dimethyl-1-oxopropyl)-4-piperidinyl]methyl]- [ACD/Index Name]
N-{6-Cyan-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydro-3-chinolinyl}-N-{[1-(2,2-dimethylpropanoyl)-4-piperidinyl]methyl}-2-pyridinsulfonamid [German] [ACD/IUPAC Name]
N-{6-Cyano-1-[(1-méthyl-1H-imidazol-5-yl)méthyl]-1,2,3,4-tétrahydro-3-quinoléinyl}-N-{[1-(2,2-diméthylpropanoyl)-4-pipéridinyl]méthyl}-2-pyridinesulfonamide [French] [ACD/IUPAC Name]
N-{6-Cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydro-3-quinolinyl}-N-{[1-(2,2-dimethylpropanoyl)-4-piperidinyl]methyl}-2-pyridinesulfonamide [ACD/IUPAC Name]
N-{6-cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}-N-{[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl}pyridine-2-sulfonamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL394085/
N-(6-cyano-1-((1-methyl-1H-imidazol-5-yl)methyl)-1,2,3,4-tetrahydroquinolin-3-yl)-N-((1-pivaloylpiperidin-4-yl)methyl)pyridine-2-sulfonamide
PB-89

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

Density: 1.3±0.1 g/cm3
Boiling Point: 844.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.7±3.0 kJ/mol
Flash Point: 464.6±37.1 °C
Index of Refraction: 1.651
Molar Refractivity: 166.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 22.72
ACD/KOC (pH 5.5): 167.91
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 208.16
ACD/KOC (pH 7.4): 1538.54
Polar Surface Area: 124 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 456.9±7.0 cm3

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