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Q15

Summary
Name:4-methyl-6-{[3-(piperidin-4-ylmethoxy)phenoxy]methyl}pyridin-2-amine
Formula:C19 H25 N3 O2
Formal charge:0
Formula weight:327.421 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-methyl-6-{[3-(piperidin-4-ylmethoxy)phenoxy]methyl}pyridin-2-amine
OpenEye OEToolkits1.7.64-methyl-6-[[3-(piperidin-4-ylmethoxy)phenoxy]methyl]pyridin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O(c2cccc(OCc1nc(N)cc(c1)C)c2)CC3CCNCC3
InChIInChI1.03InChI=1S/C19H25N3O2/c1-14-9-16(22-19(20)10-14)13-24-18-4-2-3-17(11-18)23-12-15-5-7-21-8-6-15/h2-4,9-11,15,21H,5-8,12-13H2,1H3,(H2,20,22)
InChIKeyInChI1.03PXVODVINMZHSGT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Cc1cc(N)nc(COc2cccc(OCC3CCNCC3)c2)c1
SMILESCACTVS3.370Cc1cc(N)nc(COc2cccc(OCC3CCNCC3)c2)c1
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1cc(nc(c1)N)COc2cccc(c2)OCC3CCNCC3
SMILESOpenEye OEToolkits1.7.6Cc1cc(nc(c1)N)COc2cccc(c2)OCC3CCNCC3

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PDB entries from 2024-07-24

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