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

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

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

Launch Full Analysis

Related Compounds

N-cyclopentyl-4-(1H-indazol-5-yl)-N-methylbenzamide
CID 129191428
4-(3-amino-4-hydrazinylphenyl)-N-cyclopentyl-N-methylbenzamide
CID 144760327
methyl 3-cyano-1H-indole-5-carboxylate
CID 19603726
N-cyclohexyl-4-hydroxy-N-methylbenzamide
CID 43176625
N-cyclohexyl-4-iodo-N-methylbenzamide
CID 30383969
N-cyclopentyl-4-(2,4-dimethylphenyl)-N-methylbenzamide
CID 129191408
6-[2-cyanoethyl(methyl)sulfamoyl]-N-cyclohexyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 23877208
N-cyclopentyl-N-methyl-4-(7-methyl-1H-indazol-5-yl)benzamide
CID 129191372
N-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-5-yl]-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]benzamide
CID 137001062
7-cyano-N-cyclopentyl-N-methyl-1H-indole-2-carboxamide
CID 166476068
5-[4-(11-oxo-4,7,10-triazaspiro[2.8]undecane-7-carbonyl)phenyl]-1H-indole-3-carbonitrile
CID 155267834
N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide
CID 119444616

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).