3-[2-(1-methyl-2-pyridinylidene)ethylidene]indole

C16H14N2 — CID 2838646

IUPAC3-[2-(1-methyl-2-pyridinylidene)ethylidene]indole
SMILESCN1C=CC=CC1=CC=C1C=Nc2ccccc21
InChIInChI=1S/C16H14N2/c1-18-11-5-4-6-14(18)10-9-13-12-17-16-8-3-2-7-15(13)16/h2-12H,1H3
InChIKeyDHWBPQRIUWVLJR-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.69
Rot. Bonds1

About 3-[2-(1-methyl-2-pyridinylidene)ethylidene]indole

3-[2-(1-methyl-2-pyridinylidene)ethylidene]indole (PubChem CID 2838646) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[2-(1-methyl-2-pyridinylidene)ethylidene]indole.

Molecular Properties

Compound Name3-[2-(1-methyl-2-pyridinylidene)ethylidene]indole
PubChem CID2838646
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name3-[2-(1-methyl-2-pyridinylidene)ethylidene]indole
SMILESCN1C=CC=CC1=CC=C1C=Nc2ccccc21
InChIInChI=1S/C16H14N2/c1-18-11-5-4-6-14(18)10-9-13-12-17-16-8-3-2-7-15(13)16/h2-12H,1H3
InChIKeyDHWBPQRIUWVLJR-UHFFFAOYSA-N
XLogP3.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[2-(1-methyl-2-pyridinylidene)ethylidene]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 3-[2-(1-methyl-2-pyridinylidene)ethylidene]indole?
The IUPAC name of 3-[2-(1-methyl-2-pyridinylidene)ethylidene]indole (CID 2838646) is 3-[2-(1-methyl-2-pyridinylidene)ethylidene]indole.
What is the SMILES notation for 3-[2-(1-methyl-2-pyridinylidene)ethylidene]indole?
The canonical SMILES for 3-[2-(1-methyl-2-pyridinylidene)ethylidene]indole is CN1C=CC=CC1=CC=C1C=Nc2ccccc21.
What is the InChIKey of 3-[2-(1-methyl-2-pyridinylidene)ethylidene]indole?
The InChIKey is DHWBPQRIUWVLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-18-11-5-4-6-14(18)10-9-13-12-17-16-8-3-2-7-15(13)16/h2-12H,1H3.
What are the key properties of 3-[2-(1-methyl-2-pyridinylidene)ethylidene]indole?
3-[2-(1-methyl-2-pyridinylidene)ethylidene]indole has a molecular weight of 234.30 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methyl-2-pyridinylidene)ethylidene]indole is sourced from PubChem (CID 2838646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).