ChemSpider 2D Image | LSN2463359 | C16H15N3O

LSN2463359

  • Molecular FormulaC16H15N3O
  • Average mass265.310 Da
  • Monoisotopic mass265.121521 Da
  • ChemSpider ID30835751

More details:

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

1401031-52-4 [RN]
2-Pyridinecarboxamide, N-(1-methylethyl)-5-[2-(4-pyridinyl)ethynyl]- [ACD/Index Name]
LSN2463359
N-(1-methylethyl)-5-[2-(4-pyridinyl)ethynyl]-2-pyridinecarboxamide
N-Isopropyl-5-(4-pyridinylethinyl)-2-pyridincarboxamid [German] [ACD/IUPAC Name]
N-Isopropyl-5-(4-pyridinylethynyl)-2-pyridinecarboxamide [ACD/IUPAC Name]
N-Isopropyl-5-(4-pyridinyléthynyl)-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
[1401031-52-4] [RN]
acetic acid, ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)
LSN 2463359
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 5275
      Glutamate (Metabotropic) Group I Receptors Tocris Bioscience 5275
      Glutamate (Metabotropic) Receptors Tocris Bioscience 5275
      Potent and selective positive allosteric modulator at mGlu5 Tocris Bioscience 5275
      Potent and selective positive allosteric modulator at the mGlu5 receptor (EC50 = 24 nM). Has no activity at mGlu1-4, mGlu8 and GABAB receptors. Reverses methylazoxymethanol acetate (MAM)-induced defic its in reversal learning memory and normalizes SDZ 220-581 and RO 63-1908-induced alterations in instrumental responses in rat models. Promotes wakefulness in vivo. Brain penetrant and orally active. Tocris Bioscience 5275
      Potent and selective positive allosteric modulator at the mGlu5 receptor (EC50 = 24 nM). Has no activity at mGlu1-4, mGlu8 and GABAB receptors. Reverses methylazoxymethanol acetate (MAM)-induced deficits in reversal learning memory and normalizes SDZ 220-581 and RO 63-1908-induced alterations in instrumental responses in rat models. Promotes wakefulness in vivo. Brain penetrant and orally active. Tocris Bioscience 5275

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

Density: 1.2±0.1 g/cm3
Boiling Point: 491.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 251.0±25.9 °C
Index of Refraction: 1.605
Molar Refractivity: 76.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 12.37
ACD/KOC (pH 5.5): 210.36
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.42
ACD/KOC (pH 7.4): 211.24
Polar Surface Area: 55 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 222.5±5.0 cm3

Click to predict properties on the Chemicalize site


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