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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL572346
CHEMBL572346
Compound Name
ChEMBL Synonyms N-(3,4-Dimethoxyphenyl)Picolinamide
Max Phase 0
Trade Names
Molecular Formula C14H14N2O3

Additional synonyms for CHEMBL572346 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(NC(=O)c2ccccn2)cc1OC
Standard InChI InChI=1S/C14H14N2O3/c1-18-12-7-6-10(9-13(12)19-2)16-14(17)11 ...
Download InChI
Standard InChI Key MUFYBHIXCJGGTP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL572346

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
258.3 258.1004 2.35 4 60.45 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.85 2.41 1.99 1.99 2 19 0.91

Structural Alerts

There are no structural alerts for CHEMBL572346

Compound Cross References

ChemSpider ChemSpider:MUFYBHIXCJGGTP-UHFFFAOYSA-N
PubChem SID: 22403092 SID: 85240649

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL572346



BindingDB 50293717
eMolecules 2298101
Mcule MCULE-4038972086
MolPort MolPort-002-110-612
PubChem 2447227
PubChem: Thomson Pharma 85186893
ZINC ZINC000003331176

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