6-Chloro-5-ethoxy-N-(pyridin-2-yl)indoline-1-carboxamide

wiki

6-Chloro-5-ethoxy-N-(pyridin-2-yl)indoline-1-carboxamide

Check on wiki

SMILES:CCOC1=C(Cl)C=C2C(=C1)CCN2C(O)=NC1=CC=CC=N1

InChI:InChI=1S/C16H16ClN3O2/c1-2-22-14-9-11-6-8-20(13(11)10-12(14)17)16(21)19-15-5-3-4-7-18-15/h3-5,7,9-10H,2,6,8H2,1H3,(H,18,19,21)

InChI key:OCFLVVOXCVJFTI-UHFFFAOYSA-N

Synonyms: 2BY259EY9C,6-Chloro-5-ethoxy-N-(pyridin-2-yl)indoline-1-carboxamide,UNII-2BY259EY9C,1H-Indole-1-carboxamide, 6-chloro-5-ethoxy-2,3-dihydro-N-2-pyridinyl-,1384929-25-2,DTXSID901030338

Advanced insights

In the following we provide more advanced analysis about the interactions of a molecule with the human metabolism, docking sites etc.

Interaction of this molecule with metabolism

We use a Deep Learning model to predict the interactions of this molecule with metabolism. Refer to the source to understand the methodology.

Reactions that metabolize this molecule
Pyridine N-oxidation BTMR0096
Reagents

Metabolite: InChI=1S/C16H16...

O-Dealkylation BTMR0052
O-Dealkylation BTMR0052
Reagents

Metabolite: InChI=1S/C14H12...

Hydroxylation of heteroalicyclic secondary carbon BTMR1070
Reagents

Metabolite: InChI=1S/C16H16...

Hydroxylation of heteroalicyclic secondary carbon BTMR1071
Enzymes: CYP1A2
Reagents

Metabolite: InChI=1S/C16H16...

Aromatic hydroxylation of fused benzene ring BTMR1032
Reagents

Metabolite: InChI=1S/C16H16...

Hydroxylation of terminal methyl BTMR1061
Reagents

Metabolite: InChI=1S/C16H16...

Hydroxylation of aromatic carbon ortho to halide group BTMR1040
Reagents

Metabolite: InChI=1S/C16H16...