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- ChemComp-8EJ: 6-methylpyridine-3-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 8EJ
NameName: 6-methylpyridine-3-carboxamide

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Chemical information

Composition
Formula: C7H8N2O / Number of atoms: 18 / Formula weight: 136.151 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: 8EJ / Ideal coordinates details: Corina
History
Create componentJan 31, 2017
Initial releaseMar 15, 2017
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385Cc1ccc(cn1)C(N)=O
OpenEye OEToolkits 2.0.6Cc1ccc(cn1)C(=O)N

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SMILES CANONICAL

CACTVS 3.385Cc1ccc(cn1)C(N)=O
OpenEye OEToolkits 2.0.6Cc1ccc(cn1)C(=O)N

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InChI

InChI 1.03InChI=1S/C7H8N2O/c1-5-2-3-6(4-9-5)7(8)10/h2-4H,1H3,(H2,8,10)

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InChIKey

InChI 1.03IJXDURUAYOKSIS-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.66-methylpyridine-3-carboxamide

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PDB entries

Showing all 3 items

PDB-5ph2:
PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09597a

PDB-5ph4:
PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09597a

PDB-5rv8:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039575

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