1-methyl-2,4-dihydro-1H-2,7-naphthyridin-3-one

Details

• Internal ID: 9bbc9eed-9c3e-46bb-a4c6-c85675f8d695
• Taxonomy: Organoheterocyclic compounds > Diazanaphthalenes > Naphthyridines
• IUPAC Name: 1-methyl-2,4-dihydro-1H-2,7-naphthyridin-3-one
• SMILES (Canonical): CC1C2=C(CC(=O)N1)C=CN=C2
• SMILES (Isomeric): CC1C2=C(CC(=O)N1)C=CN=C2
• InChI: InChI=1S/C9H10N2O/c1-6-8-5-10-3-2-7(8)4-9(12)11-6/h2-3,5-6H,4H2,1H3,(H,11,12)
• InChI Key: OBDOEALFYPWTOK-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₀N₂O
• Molecular Weight: 162.19 g/mol
• Exact Mass: 162.079312947 g/mol
• Topological Polar Surface Area (TPSA): 42.00 Ų
• XlogP: 0.00

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
CHEMBL2581	P07339	Cathepsin D	93.30%	98.95%
CHEMBL255	P29275	Adenosine A2b receptor	91.79%	98.59%
CHEMBL253	P34972	Cannabinoid CB2 receptor	91.50%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.83%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.69%	94.45%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	88.54%	85.30%
CHEMBL4040	P28482	MAP kinase ERK2	87.81%	83.82%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.44%	91.11%
CHEMBL1907589	P17787	Neuronal acetylcholine receptor; alpha4/beta2	83.43%	94.55%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	82.38%	90.71%
CHEMBL1951	P21397	Monoamine oxidase A	82.06%	91.49%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.26%	86.33%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.72%	99.23%

Plants that contains it

• Syringa vulgaris

Cross-Links

• PubChem: 21763825
• LOTUS: LTS0171084
• wikiData: Q105188959