8JP

6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl[3,3'-bipyridine]-6-carboxamide

Created:2017-02-09
Last modified:  2017-10-25

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Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count0
Bond Count48
Aromatic Bond Count18
2D diagram of 8JP

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Chemical Component Summary

Name6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl[3,3'-bipyridine]-6-carboxamide
Systematic Name (OpenEye OEToolkits)5-[6-azanyl-4-ethyl-5-(4-hydroxyphenyl)pyridin-3-yl]-~{N}-methyl-pyridine-2-carboxamide
FormulaC20 H20 N4 O2
Molecular Weight348.398
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2(c1ccc(C(=O)NC)nc1)cnc(c(c2CC)c3ccc(cc3)O)N
SMILESCACTVS3.385CCc1c(cnc(N)c1c2ccc(O)cc2)c3ccc(nc3)C(=O)NC
SMILESOpenEye OEToolkits2.0.6CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc(nc3)C(=O)NC
Canonical SMILESCACTVS3.385 CCc1c(cnc(N)c1c2ccc(O)cc2)c3ccc(nc3)C(=O)NC
Canonical SMILESOpenEye OEToolkits2.0.6 CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc(nc3)C(=O)NC
InChIInChI1.03 InChI=1S/C20H20N4O2/c1-3-15-16(13-6-9-17(23-10-13)20(26)22-2)11-24-19(21)18(15)12-4-7-14(25)8-5-12/h4-11,25H,3H2,1-2H3,(H2,21,24)(H,22,26)
InChIKeyInChI1.03 UCYSSYGGXOFJKK-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 122531750
ChEMBL CHEMBL4092976