ChemSpider 2D Image | {6-[Methyl(3-methylbutyl)amino]-3-pyridinyl}[4-(1H-pyrazol-1-ylmethyl)-1-piperidinyl]methanone | C21H31N5O

{6-[Methyl(3-methylbutyl)amino]-3-pyridinyl}[4-(1H-pyrazol-1-ylmethyl)-1-piperidinyl]methanone

  • Molecular FormulaC21H31N5O
  • Average mass369.504 Da
  • Monoisotopic mass369.252869 Da
  • ChemSpider ID22250361

More details:

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

{6-[Methyl(3-methylbutyl)amino]-3-pyridinyl}[4-(1H-pyrazol-1-ylmethyl)-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
{6-[Methyl(3-methylbutyl)amino]-3-pyridinyl}[4-(1H-pyrazol-1-ylmethyl)-1-piperidinyl]methanone [ACD/IUPAC Name]
{6-[Méthyl(3-méthylbutyl)amino]-3-pyridinyl}[4-(1H-pyrazol-1-ylméthyl)-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [6-[methyl(3-methylbutyl)amino]-3-pyridinyl][4-(1H-pyrazol-1-ylmethyl)-1-piperidinyl]- [ACD/Index Name]
N-METHYL-N-(3-METHYLBUTYL)-5-[4-(PYRAZOL-1-YLMETHYL)PIPERIDINE-1-CARBONYL]PYRIDIN-2-AMINE
N-methyl-N-(3-methylbutyl)-5-{[4-(1H-pyrazol-1-ylmethyl)-1-piperidinyl]carbonyl}-2-pyridinamine
N-METHYL-N-(3-METHYLBUTYL)-5-{4-[(1H-PYRAZOL-1-YL)METHYL]PIPERIDINE-1-CARBONYL}PYRIDIN-2-AMINE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 553.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 288.8±25.9 °C
Index of Refraction: 1.600
Molar Refractivity: 110.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 37.71
ACD/KOC (pH 5.5): 303.33
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 165.62
ACD/KOC (pH 7.4): 1332.11
Polar Surface Area: 54 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 321.5±7.0 cm3

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