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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL25541
CHEMBL25541
Compound Name
ChEMBL Synonyms Pyridin-3-ylamine
Max Phase 0
Trade Names
Molecular Formula C5H6N2

Additional synonyms for CHEMBL25541 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1cccnc1
Standard InChI InChI=1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2
Standard InChI Key CUYKNJBYIJFRCU-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL25541

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
94.1 94.0531 0.66 0 38.91 NEUTRAL


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
- 6.16 0 0 1 7 0.51

Structural Alerts

There are 1 structural alerts for CHEMBL25541. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CUYKNJBYIJFRCU-UHFFFAOYSA-N
PubChem SID: 144208848 SID: 144213761

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL25541



ACToR 462-08-8
BindingDB 50122005
Brenda 220466 13040
ChemicalBook CB5178708
eMolecules 477189
EPA CompTox Dashboard DTXSID9047461
FDA SRS 69JE8P2L84
IBM Patent System 42E099BEF67DE3D0242460DC20C933C8
Mcule MCULE-8277888288
MolPort MolPort-000-639-754
Nikkaji J1.535K
NMRShiftDB 20027587
PubChem 10009
PubChem: Thomson Pharma 14818090
SureChEMBL SCHEMBL19628
ZINC ZINC000000967327

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