N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(2,3-dihydroindol-1-yl)acetamide

C23H28N4O — CID 9432348

IUPACN-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(2,3-dihydroindol-1-yl)acetamide
SMILESCc1c(C#N)c(NC(=O)CN2CCc3ccccc32)n(C2CCCCC2)c1C
InChIInChI=1S/C23H28N4O/c1-16-17(2)27(19-9-4-3-5-10-19)23(20(16)14-24)25-22(28)15-26-13-12-18-8-6-7-11-21(18)26/h6-8,11,19H,3-5,9-10,12-13,15H2,1-2H3,(H,25,28)
InChIKeyZOFVTEPIJCUGJN-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.48
Rot. Bonds4

About N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(2,3-dihydroindol-1-yl)acetamide

N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(2,3-dihydroindol-1-yl)acetamide (PubChem CID 9432348) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(2,3-dihydroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(2,3-dihydroindol-1-yl)acetamide
PubChem CID9432348
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(2,3-dihydroindol-1-yl)acetamide
SMILESCc1c(C#N)c(NC(=O)CN2CCc3ccccc32)n(C2CCCCC2)c1C
InChIInChI=1S/C23H28N4O/c1-16-17(2)27(19-9-4-3-5-10-19)23(20(16)14-24)25-22(28)15-26-13-12-18-8-6-7-11-21(18)26/h6-8,11,19H,3-5,9-10,12-13,15H2,1-2H3,(H,25,28)
InChIKeyZOFVTEPIJCUGJN-UHFFFAOYSA-N
XLogP4.48
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(2,3-dihydroindol-1-yl)acetamide 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-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 24506657
N-[1-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 16596813
N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 16561600
N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111334026
N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 24507148
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)acetamide
CID 16599323
2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)acetamide
CID 9276596
1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(2,3-dihydroindol-1-yl)ethanone
CID 110655143
N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 18268825
N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46688911
N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 34903440
N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 37403534

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(2,3-dihydroindol-1-yl)acetamide?
The IUPAC name of N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(2,3-dihydroindol-1-yl)acetamide (CID 9432348) is N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(2,3-dihydroindol-1-yl)acetamide.
What is the SMILES notation for N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(2,3-dihydroindol-1-yl)acetamide?
The canonical SMILES for N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(2,3-dihydroindol-1-yl)acetamide is Cc1c(C#N)c(NC(=O)CN2CCc3ccccc32)n(C2CCCCC2)c1C.
What is the InChIKey of N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(2,3-dihydroindol-1-yl)acetamide?
The InChIKey is ZOFVTEPIJCUGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-16-17(2)27(19-9-4-3-5-10-19)23(20(16)14-24)25-22(28)15-26-13-12-18-8-6-7-11-21(18)26/h6-8,11,19H,3-5,9-10,12-13,15H2,1-2H3,(H,25,28).
What are the key properties of N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(2,3-dihydroindol-1-yl)acetamide?
N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(2,3-dihydroindol-1-yl)acetamide has a molecular weight of 376.50 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(2,3-dihydroindol-1-yl)acetamide is sourced from PubChem (CID 9432348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).