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- ChemComp-PJH: ~{N}-methylpyridine-3-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: PJH
NameName: ~{N}-methylpyridine-3-carboxamide

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Chemical information

Composition
Formula: C7H8N2O / Number of atoms: 18 / Formula weight: 136.151 / Formal charge: 0
Others

6ynp

Type: non-polymer / PDB classification: HETAIN / Three letter code: PJH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6YNP
History
Create componentApr 22, 2020
Initial releaseJul 15, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / Metabolights / 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 3.385CNC(=O)c1cccnc1
OpenEye OEToolkits 2.0.7CNC(=O)c1cccnc1

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SMILES CANONICAL

CACTVS 3.385CNC(=O)c1cccnc1
OpenEye OEToolkits 2.0.7CNC(=O)c1cccnc1

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InChI

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

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InChIKey

InChI 1.03ZYVXHFWBYUDDBM-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6ynp:
Crystal structure of YTHDC1 with compound T96C1

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