JNK inhibitor VIII   Click here for help

GtoPdb Ligand ID: 5998

Synonyms: aminopyridine deriv. 2
Compound class: Synthetic organic
Comment: This is compound 6o in [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 119.49
Molecular weight 356.15
XLogP 2.08
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(c1C#N)N
Isomeric SMILES CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(c1C#N)N
InChI InChI=1S/C18H20N4O4/c1-4-26-18-13(10-19)14(20)9-16(22-18)21-17(23)8-11-7-12(24-2)5-6-15(11)25-3/h5-7,9H,4,8H2,1-3H3,(H3,20,21,22,23)
InChI Key KQMPRSZTUSSXND-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(4-amino-5-cyano-6-ethoxypyridin-2-yl)-2-(2,5-dimethoxyphenyl)acetamide
Synonyms Click here for help
aminopyridine deriv. 2
Database Links Click here for help
CAS Registry No. 894804-07-0
ChEMBL Ligand CHEMBL210618
GtoPdb PubChem SID 178102620
PubChem CID 11624601
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Tocris
TCS JNK 6o
Cat. No. 3222