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QXR

Summary
Name:N-(4-tert-butoxypyridin-3-yl)-2-(3-chlorophenyl)acetamide
Formula:C17 H19 Cl N2 O2
Formal charge:0
Formula weight:318.798 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(4-tert-butoxypyridin-3-yl)-2-(3-chlorophenyl)acetamide
OpenEye OEToolkits2.0.72-(3-chlorophenyl)-~{N}-[4-[(2-methylpropan-2-yl)oxy]pyridin-3-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1cnccc1OC(C)(C)C)Cc1cccc(Cl)c1
InChIInChI1.06InChI=1S/C17H19ClN2O2/c1-17(2,3)22-15-7-8-19-11-14(15)20-16(21)10-12-5-4-6-13(18)9-12/h4-9,11H,10H2,1-3H3,(H,20,21)
InChIKeyInChI1.06QOGVQOIEARJILE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(C)Oc1ccncc1NC(=O)Cc2cccc(Cl)c2
SMILESCACTVS3.385CC(C)(C)Oc1ccncc1NC(=O)Cc2cccc(Cl)c2
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)(C)Oc1ccncc1NC(=O)Cc2cccc(c2)Cl
SMILESOpenEye OEToolkits2.0.7CC(C)(C)Oc1ccncc1NC(=O)Cc2cccc(c2)Cl

218853

PDB entries from 2024-04-24

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