Found 1 result

Search term: MDCZQITXTAMNNV-AOYPEHQESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1,5-Dimethyl-N-[(1R)-2-(methylamino)-2-oxo-1-(tetrahydro-2H-pyran-4-yl)ethyl]-6-oxo-N-[(2S)-2-phenyl-2-(2-pyridinyl)ethyl]-1,6-dihydro-3-pyridinecarboxamide | C29H34N4O4

1,5-Dimethyl-N-[(1R)-2-(methylamino)-2-oxo-1-(tetrahydro-2H-pyran-4-yl)ethyl]-6-oxo-N-[(2S)-2-phenyl-2-(2-pyridinyl)ethyl]-1,6-dihydro-3-pyridinecarboxamide

  • Molecular FormulaC29H34N4O4
  • Average mass502.605 Da
  • Monoisotopic mass502.257996 Da
  • ChemSpider ID115009320

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,5-Dimethyl-N-[(1R)-2-(methylamino)-2-oxo-1-(tetrahydro-2H-pyran-4-yl)ethyl]-6-oxo-N-[(2S)-2-phenyl-2-(2-pyridinyl)ethyl]-1,6-dihydro-3-pyridincarboxamid [German] [ACD/IUPAC Name]
1,5-Dimethyl-N-[(1R)-2-(methylamino)-2-oxo-1-(tetrahydro-2H-pyran-4-yl)ethyl]-6-oxo-N-[(2S)-2-phenyl-2-(2-pyridinyl)ethyl]-1,6-dihydro-3-pyridinecarboxamide [ACD/IUPAC Name]
1,5-Diméthyl-N-[(1R)-2-(méthylamino)-2-oxo-1-(tétrahydro-2H-pyran-4-yl)éthyl]-6-oxo-N-[(2S)-2-phényl-2-(2-pyridinyl)éthyl]-1,6-dihydro-3-pyridinecarboxamide [French] [ACD/IUPAC Name]
3-Pyridinecarboxamide, 1,6-dihydro-1,5-dimethyl-N-[(1R)-2-(methylamino)-2-oxo-1-(tetrahydro-2H-pyran-4-yl)ethyl]-6-oxo-N-[(2S)-2-phenyl-2-(2-pyridinyl)ethyl]- [ACD/Index 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: 764.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 416.4±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 140.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 12.55
ACD/KOC (pH 5.5): 202.75
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 14.86
ACD/KOC (pH 7.4): 240.07
Polar Surface Area: 92 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 416.4±3.0 cm3

Click to predict properties on the Chemicalize site


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