6GX

N-{2-[({2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide

Created: 2016-04-07
Last modified:  2016-04-27

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Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count0
Bond Count62
Aromatic Bond Count18
2D diagram of 6GX
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Chemical Component Summary

NameN-{2-[({2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide
Systematic Name (OpenEye OEToolkits)~{N}-[2-[[2-methoxy-6-[(2-methyl-3-phenyl-phenyl)methoxy]pyridin-3-yl]methylamino]ethyl]ethanamide
FormulaC25 H29 N3 O3
Molecular Weight419.516
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O(C)c1c(CNCCNC(=O)C)ccc(n1)OCc2c(c(ccc2)c3ccccc3)C
SMILESCACTVS3.385COc1nc(OCc2cccc(c2C)c3ccccc3)ccc1CNCCNC(C)=O
SMILESOpenEye OEToolkits2.0.4Cc1c(cccc1c2ccccc2)COc3ccc(c(n3)OC)CNCCNC(=O)C
Canonical SMILESCACTVS3.385 COc1nc(OCc2cccc(c2C)c3ccccc3)ccc1CNCCNC(C)=O
Canonical SMILESOpenEye OEToolkits2.0.4 Cc1c(cccc1c2ccccc2)COc3ccc(c(n3)OC)CNCCNC(=O)C
InChIInChI1.03 InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)
InChIKeyInChI1.03 JEDPSOYOYVELLZ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL4089730
PubChem 117951478
ChEMBL CHEMBL4089730