pyrazinamide   Click here for help

GtoPdb Ligand ID: 7287

Synonyms: Zinamide®
Approved drug PDB Ligand
pyrazinamide is an approved drug (FDA (no history prior to 1971))
Compound class: Synthetic organic
Comment: This drug is often contained in fixed-mixture formulations with other antibacterial drugs beneficial in the treatment of TB (eg isoniazid and rifampicin).
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 69.86
Molecular weight 123.04
XLogP -0.37
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=N)c1cnccn1
Isomeric SMILES OC(=N)c1cnccn1
InChI InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
InChI Key IPEHBUMCGVEMRF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (no history prior to 1971))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
pyrazine-2-carboximidic acid
International Nonproprietary Names Click here for help
INN number INN
786 pyrazinamide
Synonyms Click here for help
Zinamide®
Database Links Click here for help
CAS Registry No. 98-96-4
ChEMBL Ligand CHEMBL614
DrugBank Ligand DB00339
DrugCentral Ligand 2328
GtoPdb PubChem SID 178103861
PubChem CID 1046
RCSB PDB Ligand PZA
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Wikipedia Pyrazinamide