4-methoxy-N-(N'-methylcarbamimidoyl)benzamide

Details

• Internal ID: 5794a2ca-f954-4910-8e73-a39e8ee416af
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives
• IUPAC Name: 4-methoxy-N-(N'-methylcarbamimidoyl)benzamide
• SMILES (Canonical): CN=C(N)NC(=O)C1=CC=C(C=C1)OC
• SMILES (Isomeric): CN=C(N)NC(=O)C1=CC=C(C=C1)OC
• InChI: InChI=1S/C10H13N3O2/c1-12-10(11)13-9(14)7-3-5-8(15-2)6-4-7/h3-6H,1-2H3,(H3,11,12,13,14)
• InChI Key: MWBGBAQKHLUBNB-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₃N₃O₂
• Molecular Weight: 207.23 g/mol
• Exact Mass: 207.100776666 g/mol
• Topological Polar Surface Area (TPSA): 76.70 Ų
• XlogP: 1.10

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
CHEMBL1293294	P51151	Ras-related protein Rab-9A	96.58%	87.67%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.33%	91.11%
CHEMBL4208	P20618	Proteasome component C5	93.82%	90.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.73%	96.09%
CHEMBL1293277	O15118	Niemann-Pick C1 protein	91.08%	81.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.02%	95.56%
CHEMBL2535	P11166	Glucose transporter	88.14%	98.75%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.17%	99.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10932667
• LOTUS: LTS0223187
• wikiData: Q105173485