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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL32813
CHEMBL32813
Compound Name
ChEMBL Synonyms 2-(2-Aminoethyl)Pyridine
Max Phase 0
Trade Names
Molecular Formula C7H10N2

Additional synonyms for CHEMBL32813 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCc1ccccn1
Standard InChI InChI=1S/C7H10N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5,8H2
Standard InChI Key XPQIPUZPSLAZDV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL32813

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
122.2 122.0844 0.25 2 38.9 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.1 -.11 -1.77 1 9 0.61

Structural Alerts

There are no structural alerts for CHEMBL32813

Compound Cross References

ChemSpider ChemSpider:XPQIPUZPSLAZDV-UHFFFAOYSA-N
Wikipedia 2-Pyridylethylamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL32813



ACToR 2706-56-1
BindingDB 22865
Brenda 10113
ChEBI 74024
eMolecules 476426
EPA CompTox Dashboard DTXSID5022196
FDA SRS ATW1AH7OJ5
Guide to Pharmacology 1197
IBM Patent System 4223DA4FD874CF86AF1759FA65F36EAF
LINCS LSM-15486
Mcule MCULE-5259176751
Metabolights MTBLC74024
MolPort MolPort-001-766-666
NIH Clinical Collection SAM001246867
Nikkaji J150.806G
NMRShiftDB 20198944
PubChem 75919
PubChem: Thomson Pharma 15194427
SureChEMBL SCHEMBL42445
ZINC ZINC000000164395

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/XPQIPUZPSLAZDV-UHFFFAOYSA-N spacer
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