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- ChemComp-ZUQ: N-[4-[(6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]-2-pyridyl]... -

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Basic information

EntryDatabase: PDB chemical components / ID: ZUQ
NameName: N-[4-[(6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]-2-pyridyl]cyclopropanecarboxamide

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Chemical information

Composition
Formula: C15H13ClN4O3 / Number of atoms: 36 / Formula weight: 332.742 / Formal charge: 0
Others

5fri

Type: non-polymer / PDB classification: HETAIN / Three letter code: ZUQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5FRI
History
Create componentDec 17, 2015
Initial releaseJul 27, 2016
External linksUniChem / ChemSpider / 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 3.385Clc1cnc2OCOc2c1Nc3ccnc(NC(=O)C4CC4)c3
OpenEye OEToolkits 1.7.6c1cnc(cc1Nc2c(cnc3c2OCO3)Cl)NC(=O)C4CC4

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SMILES CANONICAL

CACTVS 3.385Clc1cnc2OCOc2c1Nc3ccnc(NC(=O)C4CC4)c3
OpenEye OEToolkits 1.7.6c1cnc(cc1Nc2c(cnc3c2OCO3)Cl)NC(=O)C4CC4

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InChI

InChI 1.03InChI=1S/C15H13ClN4O3/c16-10-6-18-15-13(22-7-23-15)12(10)19-9-3-4-17-11(5-9)20-14(21)8-1-2-8/h3-6,8H,1-2,7H2,(H2,17,18,19,20,21)

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InChIKey

InChI 1.03WJASKODGMHBDFO-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.7.6N-[4-[(6-chloranyl-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]pyridin-2-yl]cyclopropanecarboxamide

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PDB entries

Showing all 1 items

PDB-5fri:
ALK5 in complex witha an N-(4-anilino-2-pyridyl)acetamide inhibitor.

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