4-(3-cyano-1H-indol-5-yl)-N-cyclopentyl-N-methylbenzamide

C22H21N3O — CID 129191371

IUPAC4-(3-cyano-1H-indol-5-yl)-N-cyclopentyl-N-methylbenzamide
SMILESCN(C(=O)c1ccc(-c2ccc3[nH]cc(C#N)c3c2)cc1)C1CCCC1
InChIInChI=1S/C22H21N3O/c1-25(19-4-2-3-5-19)22(26)16-8-6-15(7-9-16)17-10-11-21-20(12-17)18(13-23)14-24-21/h6-12,14,19,24H,2-5H2,1H3
InChIKeyJXKCQZFWKWPTLL-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.72
Rot. Bonds3

About 4-(3-cyano-1H-indol-5-yl)-N-cyclopentyl-N-methylbenzamide

4-(3-cyano-1H-indol-5-yl)-N-cyclopentyl-N-methylbenzamide (PubChem CID 129191371) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-(3-cyano-1H-indol-5-yl)-N-cyclopentyl-N-methylbenzamide.

Molecular Properties

Compound Name4-(3-cyano-1H-indol-5-yl)-N-cyclopentyl-N-methylbenzamide
PubChem CID129191371
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name4-(3-cyano-1H-indol-5-yl)-N-cyclopentyl-N-methylbenzamide
SMILESCN(C(=O)c1ccc(-c2ccc3[nH]cc(C#N)c3c2)cc1)C1CCCC1
InChIInChI=1S/C22H21N3O/c1-25(19-4-2-3-5-19)22(26)16-8-6-15(7-9-16)17-10-11-21-20(12-17)18(13-23)14-24-21/h6-12,14,19,24H,2-5H2,1H3
InChIKeyJXKCQZFWKWPTLL-UHFFFAOYSA-N
XLogP4.72
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-1H-indol-5-yl)-N-cyclopentyl-N-methylbenzamide?
The IUPAC name of 4-(3-cyano-1H-indol-5-yl)-N-cyclopentyl-N-methylbenzamide (CID 129191371) is 4-(3-cyano-1H-indol-5-yl)-N-cyclopentyl-N-methylbenzamide.
What is the SMILES notation for 4-(3-cyano-1H-indol-5-yl)-N-cyclopentyl-N-methylbenzamide?
The canonical SMILES for 4-(3-cyano-1H-indol-5-yl)-N-cyclopentyl-N-methylbenzamide is CN(C(=O)c1ccc(-c2ccc3[nH]cc(C#N)c3c2)cc1)C1CCCC1.
What is the InChIKey of 4-(3-cyano-1H-indol-5-yl)-N-cyclopentyl-N-methylbenzamide?
The InChIKey is JXKCQZFWKWPTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-25(19-4-2-3-5-19)22(26)16-8-6-15(7-9-16)17-10-11-21-20(12-17)18(13-23)14-24-21/h6-12,14,19,24H,2-5H2,1H3.
What are the key properties of 4-(3-cyano-1H-indol-5-yl)-N-cyclopentyl-N-methylbenzamide?
4-(3-cyano-1H-indol-5-yl)-N-cyclopentyl-N-methylbenzamide has a molecular weight of 343.43 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-1H-indol-5-yl)-N-cyclopentyl-N-methylbenzamide is sourced from PubChem (CID 129191371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).