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A1BOP

Summary
Name:(3S)-1-[(4-methoxypyridin-3-yl)acetyl]pyrrolidine-3-carboxamide
Formula:C13 H17 N3 O3
Formal charge:0
Formula weight:263.292 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(4-methoxypyridin-3-yl)acetyl]pyrrolidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[2-(4-methoxypyridin-3-yl)ethanoyl]pyrrolidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(N)C1CCN(C1)C(=O)Cc1cnccc1OC
InChIInChI1.06InChI=1S/C13H17N3O3/c1-19-11-2-4-15-7-10(11)6-12(17)16-5-3-9(8-16)13(14)18/h2,4,7,9H,3,5-6,8H2,1H3,(H2,14,18)/t9-/m0/s1
InChIKeyInChI1.06GNWVDSWMINQMLL-VIFPVBQESA-N
SMILES_CANONICALCACTVS3.385COc1ccncc1CC(=O)N2CC[C@@H](C2)C(N)=O
SMILESCACTVS3.385COc1ccncc1CC(=O)N2CC[CH](C2)C(N)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0COc1ccncc1CC(=O)N2CC[C@@H](C2)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0COc1ccncc1CC(=O)N2CCC(C2)C(=O)N

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PDB entries from 2026-02-04

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