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- ChemComp-NN9: 6-[[3-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: NN9
NameName: 6-[[3-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide

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Chemical information

Composition
Formula: C14H16N4O / Number of atoms: 35 / Formula weight: 256.303 / Formal charge: 0
Others

8apt

Type: non-polymer / PDB classification: HETAIN / Three letter code: NN9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8APT
History
Create componentAug 17, 2022
Initial releaseJun 14, 2023
Modify descriptorSep 23, 2023
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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385NCc1cccc(CNc2ccc(cn2)C(N)=O)c1
OpenEye OEToolkits 2.0.7c1cc(cc(c1)CNc2ccc(cn2)C(=O)N)CN

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SMILES CANONICAL

CACTVS 3.385NCc1cccc(CNc2ccc(cn2)C(N)=O)c1
OpenEye OEToolkits 2.0.7c1cc(cc(c1)CNc2ccc(cn2)C(=O)N)CN

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InChI

InChI 1.06InChI=1S/C14H16N4O/c15-7-10-2-1-3-11(6-10)8-17-13-5-4-12(9-18-13)14(16)19/h1-6,9H,7-8,15H2,(H2,16,19)(H,17,18)

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InChIKey

InChI 1.06WXURPGONLMDDHC-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8apt:
Crystal Structure of H. influenzae TrmD in complex with Compound 13

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