compound 3b [PMID:28943244]

Ligand id: 9825

Name: compound 3b [PMID:28943244]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 57.7
Molecular weight 340.19
XLogP 2.2
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-2-carboxamide
Comments
A range of picolinamide derivatives, linked to an arylpiperazine moiety, were prepared and their affinity to 5-HT1A, 5-HT2A and 5-HT2C receptors determined. Compound 3b showed subnanomolar affinity towards 5-HT2A [1].
Database Links
GtoPdb PubChem SID 354702296
PubChem CID 45560410
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