5-ethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione

C16H14N2O2 — CID 61355634

IUPAC5-ethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione
SMILESCCc1ccc2c(c1)C(=O)C(=O)N2Cc1ccccn1
InChIInChI=1S/C16H14N2O2/c1-2-11-6-7-14-13(9-11)15(19)16(20)18(14)10-12-5-3-4-8-17-12/h3-9H,2,10H2,1H3
InChIKeyFRPMQAGLPOTGAW-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.37
Rot. Bonds3

About 5-ethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione

5-ethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione (PubChem CID 61355634) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-ethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name5-ethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione
PubChem CID61355634
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name5-ethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione
SMILESCCc1ccc2c(c1)C(=O)C(=O)N2Cc1ccccn1
InChIInChI=1S/C16H14N2O2/c1-2-11-6-7-14-13(9-11)15(19)16(20)18(14)10-12-5-3-4-8-17-12/h3-9H,2,10H2,1H3
InChIKeyFRPMQAGLPOTGAW-UHFFFAOYSA-N
XLogP2.37
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61355626
5-ethyl-1-(pyrimidin-2-ylmethyl)indole-2,3-dione
CID 62699942
6-methoxy-1-(pyridin-2-ylmethyl)indole-2,3-dione
CID 61356418
6,7-dimethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione
CID 61356749
5-ethyl-1-[2-(ethylamino)ethyl]indole-2,3-dione
CID 61388464
1-(2,3-dihydroxypropyl)-5-ethylindole-2,3-dione
CID 82850558
1-[(4-phenylphenyl)methyl]-5-pyridin-2-yloxyindole-2,3-dione
CID 52947760
3-(4-ethylanilino)-4-(2-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110597492
4-(5-ethyl-2,3-dioxoindol-1-yl)-2-methylbut-2-enoic acid
CID 77076054
2-(9-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 17200773
5-chloro-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione
CID 115886887
1-benzyl-2,3-dioxoindole-5-carboxylic acid
CID 11708944

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione?
The IUPAC name of 5-ethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione (CID 61355634) is 5-ethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione.
What is the SMILES notation for 5-ethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione?
The canonical SMILES for 5-ethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione is CCc1ccc2c(c1)C(=O)C(=O)N2Cc1ccccn1.
What is the InChIKey of 5-ethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione?
The InChIKey is FRPMQAGLPOTGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-11-6-7-14-13(9-11)15(19)16(20)18(14)10-12-5-3-4-8-17-12/h3-9H,2,10H2,1H3.
What are the key properties of 5-ethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione?
5-ethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione has a molecular weight of 266.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione is sourced from PubChem (CID 61355634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).