4-ethoxy-1-(pyridin-2-ylmethyl)indole

C16H16N2O — CID 83174156

IUPAC4-ethoxy-1-(pyridin-2-ylmethyl)indole
SMILESCCOc1cccc2c1ccn2Cc1ccccn1
InChIInChI=1S/C16H16N2O/c1-2-19-16-8-5-7-15-14(16)9-11-18(15)12-13-6-3-4-10-17-13/h3-11H,2,12H2,1H3
InChIKeyIZUSUEVDUAEPJW-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.48
Rot. Bonds4

About 4-ethoxy-1-(pyridin-2-ylmethyl)indole

4-ethoxy-1-(pyridin-2-ylmethyl)indole (PubChem CID 83174156) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-ethoxy-1-(pyridin-2-ylmethyl)indole.

Molecular Properties

Compound Name4-ethoxy-1-(pyridin-2-ylmethyl)indole
PubChem CID83174156
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-ethoxy-1-(pyridin-2-ylmethyl)indole
SMILESCCOc1cccc2c1ccn2Cc1ccccn1
InChIInChI=1S/C16H16N2O/c1-2-19-16-8-5-7-15-14(16)9-11-18(15)12-13-6-3-4-10-17-13/h3-11H,2,12H2,1H3
InChIKeyIZUSUEVDUAEPJW-UHFFFAOYSA-N
XLogP3.48
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethoxy-1-(pyridin-2-ylmethyl)indole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(pyridin-2-ylmethyl)indole?
The IUPAC name of 4-ethoxy-1-(pyridin-2-ylmethyl)indole (CID 83174156) is 4-ethoxy-1-(pyridin-2-ylmethyl)indole.
What is the SMILES notation for 4-ethoxy-1-(pyridin-2-ylmethyl)indole?
The canonical SMILES for 4-ethoxy-1-(pyridin-2-ylmethyl)indole is CCOc1cccc2c1ccn2Cc1ccccn1.
What is the InChIKey of 4-ethoxy-1-(pyridin-2-ylmethyl)indole?
The InChIKey is IZUSUEVDUAEPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-19-16-8-5-7-15-14(16)9-11-18(15)12-13-6-3-4-10-17-13/h3-11H,2,12H2,1H3.
What are the key properties of 4-ethoxy-1-(pyridin-2-ylmethyl)indole?
4-ethoxy-1-(pyridin-2-ylmethyl)indole has a molecular weight of 252.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(pyridin-2-ylmethyl)indole is sourced from PubChem (CID 83174156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).