[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-3-carboxylate

C16H14N2O3 — CID 655828

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-3-carboxylate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1cccnc1
InChIInChI=1S/C16H14N2O3/c19-15(11-21-16(20)13-5-3-8-17-10-13)18-9-7-12-4-1-2-6-14(12)18/h1-6,8,10H,7,9,11H2
InChIKeyGPHVHGVIEPDWDI-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.83
Rot. Bonds3

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-3-carboxylate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-3-carboxylate (PubChem CID 655828) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-3-carboxylate
PubChem CID655828
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-3-carboxylate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1cccnc1
InChIInChI=1S/C16H14N2O3/c19-15(11-21-16(20)13-5-3-8-17-10-13)18-9-7-12-4-1-2-6-14(12)18/h1-6,8,10H,7,9,11H2
InChIKeyGPHVHGVIEPDWDI-UHFFFAOYSA-N
XLogP1.83
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-Methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 847689
Nicotinic acid naphthalen-1-ylcarbamoylmethyl ester
CID 847692
[Phenyl(propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 2371306
[2-(2,5-Dimethylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate
CID 2429249
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] pyridine-4-carboxylate
CID 2452809
[Cyclohexyl(methyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 3693761
[(4-Phenylbutan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 4142818
[2-Oxo-2-(4-phenylbutan-2-ylamino)ethyl] 1-methylpyrrole-2-carboxylate
CID 4991839
(2-oxo-2-piperidin-1-ylethyl) 1H-indole-3-carboxylate
CID 8606123
[2-(Cyclohexylamino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 16278562
(1-Oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-methylindole-3-carboxylate
CID 16302467
(2-Anilino-2-oxoethyl) 1-methylindole-3-carboxylate
CID 16307836

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-3-carboxylate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-3-carboxylate (CID 655828) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-3-carboxylate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-3-carboxylate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-3-carboxylate is O=C(OCC(=O)N1CCc2ccccc21)c1cccnc1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-3-carboxylate?
The InChIKey is GPHVHGVIEPDWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15(11-21-16(20)13-5-3-8-17-10-13)18-9-7-12-4-1-2-6-14(12)18/h1-6,8,10H,7,9,11H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-3-carboxylate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-3-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-3-carboxylate is sourced from PubChem (CID 655828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).