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

C16H14N2O3 — CID 1088748

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1ccccn1
InChIInChI=1S/C16H14N2O3/c19-15(11-21-16(20)13-6-3-4-9-17-13)18-10-8-12-5-1-2-7-14(12)18/h1-7,9H,8,10-11H2
InChIKeyCCTQYZPYMUDVLJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.83
Rot. Bonds3

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

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 1088748) 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-2-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-2-carboxylate
PubChem CID1088748
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1ccccn1
InChIInChI=1S/C16H14N2O3/c19-15(11-21-16(20)13-6-3-4-9-17-13)18-10-8-12-5-1-2-7-14(12)18/h1-7,9H,8,10-11H2
InChIKeyCCTQYZPYMUDVLJ-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

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Related Compounds

2-(Naphthalen-1-ylamino)-2-oxoethyl pyridine-2-carboxylate
CID 900761
[2-(3-Acetylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088687
[2-(4-Acetamidoanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2357468
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2412097
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] pyridine-4-carboxylate
CID 2452809
(2-Oxo-2-piperidin-1-ylethyl) quinoline-2-carboxylate
CID 2454583
[2-Oxo-2-(4-phenylbutan-2-ylamino)ethyl] 1-methylpyrrole-2-carboxylate
CID 4991839
(2-Benzamido-2-oxoethyl) pyridine-2-carboxylate
CID 7477399
(2-oxo-2-piperidin-1-ylethyl) 1H-indole-3-carboxylate
CID 8606123
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] benzoate
CID 9018953
(1-Oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-methylindole-3-carboxylate
CID 16302467
2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl 1H-indole-3-carboxylate
CID 16308809

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-2-carboxylate (CID 1088748) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-2-carboxylate is O=C(OCC(=O)N1CCc2ccccc21)c1ccccn1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is CCTQYZPYMUDVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15(11-21-16(20)13-6-3-4-9-17-13)18-10-8-12-5-1-2-7-14(12)18/h1-7,9H,8,10-11H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-2-carboxylate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-2-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-2-carboxylate is sourced from PubChem (CID 1088748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).