3-cyano-N-ethyl-N-(1H-indol-5-ylmethyl)-1H-indole-7-carboxamide

C21H18N4O — CID 166392087

IUPAC3-cyano-N-ethyl-N-(1H-indol-5-ylmethyl)-1H-indole-7-carboxamide
SMILESCCN(Cc1ccc2[nH]ccc2c1)C(=O)c1cccc2c(C#N)c[nH]c12
InChIInChI=1S/C21H18N4O/c1-2-25(13-14-6-7-19-15(10-14)8-9-23-19)21(26)18-5-3-4-17-16(11-22)12-24-20(17)18/h3-10,12,23-24H,2,13H2,1H3
InChIKeyLFTKRSVOYLNVFY-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.18
Rot. Bonds4

About 3-cyano-N-ethyl-N-(1H-indol-5-ylmethyl)-1H-indole-7-carboxamide

3-cyano-N-ethyl-N-(1H-indol-5-ylmethyl)-1H-indole-7-carboxamide (PubChem CID 166392087) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-cyano-N-ethyl-N-(1H-indol-5-ylmethyl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-cyano-N-ethyl-N-(1H-indol-5-ylmethyl)-1H-indole-7-carboxamide
PubChem CID166392087
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name3-cyano-N-ethyl-N-(1H-indol-5-ylmethyl)-1H-indole-7-carboxamide
SMILESCCN(Cc1ccc2[nH]ccc2c1)C(=O)c1cccc2c(C#N)c[nH]c12
InChIInChI=1S/C21H18N4O/c1-2-25(13-14-6-7-19-15(10-14)8-9-23-19)21(26)18-5-3-4-17-16(11-22)12-24-20(17)18/h3-10,12,23-24H,2,13H2,1H3
InChIKeyLFTKRSVOYLNVFY-UHFFFAOYSA-N
XLogP4.18
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-ethyl-N-(1H-indol-5-ylmethyl)-1H-indole-7-carboxamide?
The IUPAC name of 3-cyano-N-ethyl-N-(1H-indol-5-ylmethyl)-1H-indole-7-carboxamide (CID 166392087) is 3-cyano-N-ethyl-N-(1H-indol-5-ylmethyl)-1H-indole-7-carboxamide.
What is the SMILES notation for 3-cyano-N-ethyl-N-(1H-indol-5-ylmethyl)-1H-indole-7-carboxamide?
The canonical SMILES for 3-cyano-N-ethyl-N-(1H-indol-5-ylmethyl)-1H-indole-7-carboxamide is CCN(Cc1ccc2[nH]ccc2c1)C(=O)c1cccc2c(C#N)c[nH]c12.
What is the InChIKey of 3-cyano-N-ethyl-N-(1H-indol-5-ylmethyl)-1H-indole-7-carboxamide?
The InChIKey is LFTKRSVOYLNVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-2-25(13-14-6-7-19-15(10-14)8-9-23-19)21(26)18-5-3-4-17-16(11-22)12-24-20(17)18/h3-10,12,23-24H,2,13H2,1H3.
What are the key properties of 3-cyano-N-ethyl-N-(1H-indol-5-ylmethyl)-1H-indole-7-carboxamide?
3-cyano-N-ethyl-N-(1H-indol-5-ylmethyl)-1H-indole-7-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-ethyl-N-(1H-indol-5-ylmethyl)-1H-indole-7-carboxamide is sourced from PubChem (CID 166392087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).