N-(6-acetamidopyridin-3-yl)acetamide

Details

• Internal ID: 36ca0bd7-c43f-45ea-a7a6-24a578de687a
• Taxonomy: Organic nitrogen compounds > Organonitrogen compounds > N-arylamides > N-acetylarylamines
• IUPAC Name: N-(6-acetamidopyridin-3-yl)acetamide
• SMILES (Canonical): CC(=O)NC1=CN=C(C=C1)NC(=O)C
• SMILES (Isomeric): CC(=O)NC1=CN=C(C=C1)NC(=O)C
• InChI: InChI=1S/C9H11N3O2/c1-6(13)11-8-3-4-9(10-5-8)12-7(2)14/h3-5H,1-2H3,(H,11,13)(H,10,12,14)
• InChI Key: RITVBFZKAMDJHU-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₁N₃O₂
• Molecular Weight: 193.20 g/mol
• Exact Mass: 193.085126602 g/mol
• Topological Polar Surface Area (TPSA): 71.10 Ų
• XlogP: -0.50

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL1293277	O15118	Niemann-Pick C1 protein	93.18%	81.11%
CHEMBL3401	O75469	Pregnane X receptor	89.33%	94.73%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.10%	96.09%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	83.12%	94.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.39%	94.00%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	82.37%	95.50%
CHEMBL2535	P11166	Glucose transporter	81.50%	98.75%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	81.28%	97.21%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	80.05%	94.42%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 130005129
• LOTUS: LTS0099977
• wikiData: Q105237132