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- ChemComp-Z02: 5-nitro-2-[(pyridin-2-ylmethyl)amino]benzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: Z02
NameName: 5-nitro-2-[(pyridin-2-ylmethyl)amino]benzamide

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Chemical information

Composition
Formula: C13H12N4O3 / Number of atoms: 32 / Formula weight: 272.259 / Formal charge: 0
Others

3r7v

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: Z02 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3R7V
History
Create componentMar 24, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChEMBL / 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 12.01[O-][N+](=O)c2ccc(NCc1ncccc1)c(C(=O)N)c2
CACTVS 3.370NC(=O)c1cc(ccc1NCc2ccccn2)[N+]([O-])=O
OpenEye OEToolkits 1.7.0c1ccnc(c1)CNc2ccc(cc2C(=O)N)[N+](=O)[O-]

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SMILES CANONICAL

CACTVS 3.370NC(=O)c1cc(ccc1NCc2ccccn2)[N+]([O-])=O
OpenEye OEToolkits 1.7.0c1ccnc(c1)CNc2ccc(cc2C(=O)N)[N+](=O)[O-]

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InChI

InChI 1.03InChI=1S/C13H12N4O3/c14-13(18)11-7-10(17(19)20)4-5-12(11)16-8-9-3-1-2-6-15-9/h1-7,16H,8H2,(H2,14,18)

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InChIKey

InChI 1.03WHRVUTPLBUMBMW-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.015-nitro-2-[(pyridin-2-ylmethyl)amino]benzamide
OpenEye OEToolkits 1.7.05-nitro-2-(pyridin-2-ylmethylamino)benzamide

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PDB entries

Showing all 1 items

PDB-3r7v:
CDK2 in complex with inhibitor KVR-1-9

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