ChemSpider 2D Image | N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-1-pentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide | C19H28N4O2

N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-1-pentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

  • Molecular FormulaC19H28N4O2
  • Average mass344.451 Da
  • Monoisotopic mass344.221222 Da
  • ChemSpider ID109117928

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrrolo[2,3-b]pyridine-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2,2-dimethylpropyl]-1-pentyl- [ACD/Index Name]
N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-1-pentyl-1H-pyrrolo[2,3-b]pyridin-3-carboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-1-pentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-3,3-diméthyl-1-oxo-2-butanyl]-1-pentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide [French] [ACD/IUPAC Name]
(2S)-3,3-dimethyl-2-({1-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl}formamido)butanamide
2366273-07-4 [RN]
ADB-P7AICA
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4476642/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 604.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.5±28.7 °C
Index of Refraction: 1.583
Molar Refractivity: 98.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 197.00
ACD/KOC (pH 5.5): 1515.42
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 202.53
ACD/KOC (pH 7.4): 1557.91
Polar Surface Area: 90 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 43.1±7.0 dyne/cm
Molar Volume: 294.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement