339159 <common-name>1-benzyl-4-[[4-[(5-methyl-2-pyridinyl)amino]phenyl]methyl]piperazine-2,3-dione</common-name> <description>1-benzyl-4-[[4-[(5-methyl-2-pyridinyl)amino]phenyl]methyl]piperazine-2,3-dione is a chemical compound with the formula C24H24N4O2. It has an average molecular weight of 400.50 g/mol.</description> <cas>77917-53-4</cas> <pubchem-id>3060268</pubchem-id> <chemical-formula>C24H24N4O2</chemical-formula> <weight>400.5</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-30T22:23:47Z</created-at> <updated-at type="dateTime">2026-08-30T22:23:47Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC1=CN=C(C=C1)NC2=CC=C(C=C2)CN3CCN(C(=O)C3=O)CC4=CC=CC=C4</moldb-smiles> <moldb-formula>C24H24N4O2</moldb-formula> <moldb-inchi>InChI=1S/C24H24N4O2/c1-18-7-12-22(25-15-18)26-21-10-8-20(9-11-21)17-28-14-13-27(23(29)24(28)30)16-19-5-3-2-4-6-19/h2-12,15H,13-14,16-17H2,1H3,(H,25,26)</moldb-inchi> <moldb-inchikey>ZDGCMPPRIXICKH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">400.189926</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM335052</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>1-benzyl-4-[[4-[(5-methyl-2-pyridinyl)amino]phenyl]methyl]piperazine-2,3-dione</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0289582</sync-id> <structure-inchikey>ZDGCMPPRIXICKH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000100001000001000000000000001200220000000000000022004000000000000000000000000100000000000000000000000000040000000000020000000000000000000000000000000000000200000000010000000010000000000020100000001000000000000000000000048200000c01000000000000080000000000100000000000000000000000000000000000000000000080000000000000000080000008000000000080100000000000000000000000000000000000010000000002000000224040000000000000100000000000040000000000000000000100000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ��������������������!���€���`������@(������@h�������@(������@(������@h�������@h��������h�������@(������@h�������@h�������@(������@h�������@h��������`�������(�������`�������`�������(�������(�������(�������(�������(�������`������@(������@h�������@h�������@h�������@h�������@h������������h���h���h���h���h��� �� � h� h� �h���h�� h������������������ ��(��� ��(���������h���h���h���h���h���h� �h��� ��h�B������������ �� �������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:39:43Z</structure-indexed-at> </compound>