2-(3-cyanoindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide

C21H18N4O — CID 648226

IUPAC2-(3-cyanoindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESN#Cc1cn(CC(=O)NCCc2c[nH]c3ccccc23)c2ccccc12
InChIInChI=1S/C21H18N4O/c22-11-16-13-25(20-8-4-2-6-18(16)20)14-21(26)23-10-9-15-12-24-19-7-3-1-5-17(15)19/h1-8,12-13,24H,9-10,14H2,(H,23,26)
InChIKeyPZRZOAZHORPBAJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.35
Rot. Bonds5

About 2-(3-cyanoindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-(3-cyanoindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 648226) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(3-cyanoindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-cyanoindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID648226
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name2-(3-cyanoindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESN#Cc1cn(CC(=O)NCCc2c[nH]c3ccccc23)c2ccccc12
InChIInChI=1S/C21H18N4O/c22-11-16-13-25(20-8-4-2-6-18(16)20)14-21(26)23-10-9-15-12-24-19-7-3-1-5-17(15)19/h1-8,12-13,24H,9-10,14H2,(H,23,26)
InChIKeyPZRZOAZHORPBAJ-UHFFFAOYSA-N
XLogP3.35
TPSA73.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(3-cyanoindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 648226) is 2-(3-cyanoindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-cyanoindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-cyanoindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide is N#Cc1cn(CC(=O)NCCc2c[nH]c3ccccc23)c2ccccc12.
What is the InChIKey of 2-(3-cyanoindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is PZRZOAZHORPBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c22-11-16-13-25(20-8-4-2-6-18(16)20)14-21(26)23-10-9-15-12-24-19-7-3-1-5-17(15)19/h1-8,12-13,24H,9-10,14H2,(H,23,26).
What are the key properties of 2-(3-cyanoindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-(3-cyanoindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 648226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).