331329 <common-name>[4-(1-adamantyl)phenyl] pyridine-3-carboxylate</common-name> <description>[4-(1-adamantyl)phenyl] pyridine-3-carboxylate is a chemical compound with the formula C22H23NO2. It has an average molecular weight of 333.40 g/mol.</description> <cas>76928-29-5</cas> <pubchem-id>64501</pubchem-id> <chemical-formula>C22H23NO2</chemical-formula> <weight>333.4</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">2026-08-30T12:06:36Z</created-at> <updated-at type="dateTime">2026-08-30T12:06:36Z</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>C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OC(=O)C5=CN=CC=C5</moldb-smiles> <moldb-formula>C22H23NO2</moldb-formula> <moldb-inchi>InChI=1S/C22H23NO2/c24-21(18-2-1-7-23-14-18)25-20-5-3-19(4-6-20)22-11-15-8-16(12-22)10-17(9-15)13-22/h1-7,14-17H,8-13H2</moldb-inchi> <moldb-inchikey>DBKLIGHGFZVBFK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">333.172879</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.7</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>CHEM327222</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>[4-(1-adamantyl)phenyl] pyridine-3-carboxylate</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>Benzenoids</superklass> <klass>Phenol esters</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0281867</sync-id> <structure-inchikey>DBKLIGHGFZVBFK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000800000000000000000000000000a00000000000002000000000000004000000000008000000000000000008000020000000000000000020000001000100000200000000000000000000010000000000000020000000000020020000000000000000000000100000100008000000800000000000000001000000000000000000000000000000000800000000000000000000084000000000000002000000000000000000000100000000000020001000000000000000000000001000000040000200000000000000000000000000002040000000400400000000002000804000000000000000</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�B��������������������� ������ �� ������������ �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:33:50Z</structure-indexed-at> </compound>