6-[hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide

Details

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Internal ID dca4396b-af36-449f-a1a6-365c4eec21a0
Taxonomy Organoheterocyclic compounds > Pyridines and derivatives > Pyridinecarboxylic acids and derivatives > Pyridinecarboxamides > Nicotinamides
IUPAC Name 6-[hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
SMILES (Canonical) C1=CC=C(C=C1)C(C2=CC(=O)C(=CN2)C(=O)N)O
SMILES (Isomeric) C1=CC=C(C=C1)C(C2=CC(=O)C(=CN2)C(=O)N)O
InChI InChI=1S/C13H12N2O3/c14-13(18)9-7-15-10(6-11(9)16)12(17)8-4-2-1-3-5-8/h1-7,12,17H,(H2,14,18)(H,15,16)
InChI Key DIKSXFGBISXWOX-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C13H12N2O3
Molecular Weight 244.25 g/mol
Exact Mass 244.08479225 g/mol
Topological Polar Surface Area (TPSA) 92.40 Ų
XlogP 0.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6-[hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4040 P28482 MAP kinase ERK2 96.74% 83.82%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.03% 91.11%
CHEMBL2581 P07339 Cathepsin D 95.09% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.00% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.81% 94.45%
CHEMBL2535 P11166 Glucose transporter 91.14% 98.75%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.12% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 88.00% 85.14%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.57% 86.33%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 85.39% 93.03%
CHEMBL3902 P09211 Glutathione S-transferase Pi 85.24% 93.81%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 84.68% 94.62%
CHEMBL5284 Q96RR4 CaM-kinase kinase beta 83.04% 89.23%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 162944242
LOTUS LTS0195773
wikiData Q103818419