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- ChemComp-FI5: 4-piperidin-4-yloxypyridine-2-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: FI5
NameName: 4-piperidin-4-yloxypyridine-2-carboxamide

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Chemical information

Composition
Formula: C11H15N3O2 / Number of atoms: 31 / Formula weight: 221.256 / Formal charge: 0
Others

7qvt

Type: non-polymer / PDB classification: HETAIN / Three letter code: FI5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7QVT
History
Create componentJan 24, 2022
Modify descriptorAug 22, 2022
Initial releaseSep 28, 2022
External linksUniChem / ChemSpider / ChEMBL / PubChem / 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 3.385NC(=O)c1cc(OC2CCNCC2)ccn1
OpenEye OEToolkits 2.0.7c1cnc(cc1OC2CCNCC2)C(=O)N

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SMILES CANONICAL

CACTVS 3.385NC(=O)c1cc(OC2CCNCC2)ccn1
OpenEye OEToolkits 2.0.7c1cnc(cc1OC2CCNCC2)C(=O)N

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InChI

InChI 1.06InChI=1S/C11H15N3O2/c12-11(15)10-7-9(3-6-14-10)16-8-1-4-13-5-2-8/h3,6-8,13H,1-2,4-5H2,(H2,12,15)

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InChIKey

InChI 1.06NMMFHPWVBDVMFL-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7qvt:
BAZ2A bromodomain in complex with picolinamide derivative fragment 13

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