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- ChemComp-H0P: 2-(3-hydroxyphenyl)-N-(pyridin-3-yl)acetamide -

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Basic information

EntryDatabase: PDB chemical components / ID: H0P
NameName: 2-(3-hydroxyphenyl)-N-(pyridin-3-yl)acetamide

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Chemical information

Composition
Formula: C13H12N2O2 / Number of atoms: 29 / Formula weight: 228.247 / Formal charge: 0
Others

5qh0

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: H0P / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QH0
History
Create componentJun 8, 2018
Initial releaseMar 27, 2019
External linksUniChem / ChemSpider / PubChem / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01N(C(Cc1cc(ccc1)O)=O)c2cccnc2
CACTVS 3.385Oc1cccc(CC(=O)Nc2cccnc2)c1
OpenEye OEToolkits 2.0.6c1cc(cc(c1)O)CC(=O)Nc2cccnc2

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SMILES CANONICAL

CACTVS 3.385Oc1cccc(CC(=O)Nc2cccnc2)c1
OpenEye OEToolkits 2.0.6c1cc(cc(c1)O)CC(=O)Nc2cccnc2

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InChI

InChI 1.03InChI=1S/C13H12N2O2/c16-12-5-1-3-10(7-12)8-13(17)15-11-4-2-6-14-9-11/h1-7,9,16H,8H2,(H,15,17)

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InChIKey

InChI 1.03SVYJPXVRJILISE-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-(3-hydroxyphenyl)-N-(pyridin-3-yl)acetamide
OpenEye OEToolkits 2.0.62-(3-hydroxyphenyl)-~{N}-pyridin-3-yl-ethanamide

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PDB entries

Showing all 1 items

PDB-5qh0:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000180

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