[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-4-carboxylate

C16H14N2O3 — CID 2452809

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-4-carboxylate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1ccncc1
InChIInChI=1S/C16H14N2O3/c19-15(11-21-16(20)13-5-8-17-9-6-13)18-10-7-12-3-1-2-4-14(12)18/h1-6,8-9H,7,10-11H2
InChIKeyAFXVHJFQYIKSLK-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.83
Rot. Bonds3

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-4-carboxylate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-4-carboxylate (PubChem CID 2452809) 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-4-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-4-carboxylate
PubChem CID2452809
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-4-carboxylate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1ccncc1
InChIInChI=1S/C16H14N2O3/c19-15(11-21-16(20)13-5-8-17-9-6-13)18-10-7-12-3-1-2-4-14(12)18/h1-6,8-9H,7,10-11H2
InChIKeyAFXVHJFQYIKSLK-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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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-4-carboxylate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-4-carboxylate (CID 2452809) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-4-carboxylate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-4-carboxylate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-4-carboxylate is O=C(OCC(=O)N1CCc2ccccc21)c1ccncc1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-4-carboxylate?
The InChIKey is AFXVHJFQYIKSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15(11-21-16(20)13-5-8-17-9-6-13)18-10-7-12-3-1-2-4-14(12)18/h1-6,8-9H,7,10-11H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-4-carboxylate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-4-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-4-carboxylate is sourced from PubChem (CID 2452809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).