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- ChemComp-07U: 2-methyl-N~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2... -

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Basic information

EntryDatabase: PDB chemical components / ID: 07U
NameName: 2-methyl-N~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamine

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Chemical information

Composition
Formula: C17H19N5 / Number of atoms: 41 / Formula weight: 293.366 / Formal charge: 0
Others

3txo

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 07U / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3TXO
History
Create componentOct 6, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / 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

ACDLabs 12.01n2cc1cc(nc(c1cc2)NCC(N)(C)C)c3ccncc3
CACTVS 3.370CC(C)(N)CNc1nc(cc2cnccc12)c3ccncc3
OpenEye OEToolkits 1.7.2CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N

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SMILES CANONICAL

CACTVS 3.370CC(C)(N)CNc1nc(cc2cnccc12)c3ccncc3
OpenEye OEToolkits 1.7.2CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N

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InChI

InChI 1.03InChI=1S/C17H19N5/c1-17(2,18)11-21-16-14-5-8-20-10-13(14)9-15(22-16)12-3-6-19-7-4-12/h3-10H,11,18H2,1-2H3,(H,21,22)

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InChIKey

InChI 1.03WNDOFCPEDZYDPL-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-methyl-N~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamine
OpenEye OEToolkits 1.7.22-methyl-N1-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)propane-1,2-diamine

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PDB entries

Showing all 1 items

PDB-3txo:
PKC eta kinase in complex with a naphthyridine

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