N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide

C23H28N4O — CID 23474767

IUPACN-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1
InChIInChI=1S/C23H28N4O/c1-4-26-11-13-27(14-12-26)22-8-6-5-7-21(22)25-23(28)18-9-10-20-19(15-18)16(2)17(3)24-20/h5-10,15,24H,4,11-14H2,1-3H3,(H,25,28)
InChIKeyGPXILQQWAZXHMF-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.18
Rot. Bonds4

About N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide

N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 23474767) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID23474767
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1
InChIInChI=1S/C23H28N4O/c1-4-26-11-13-27(14-12-26)22-8-6-5-7-21(22)25-23(28)18-9-10-20-19(15-18)16(2)17(3)24-20/h5-10,15,24H,4,11-14H2,1-3H3,(H,25,28)
InChIKeyGPXILQQWAZXHMF-UHFFFAOYSA-N
XLogP4.18
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 18190160
2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide
CID 55736357
N-[2-(4-ethylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 46534125
N-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 26581665
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 43073972
1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 51265836
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 51237518
2,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide
CID 46412846
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 39518918
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzamide
CID 112809859
5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
CID 120647841
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(methylamino)acetamide
CID 119901038

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide (CID 23474767) is N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide is CCN1CCN(c2ccccc2NC(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is GPXILQQWAZXHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-4-26-11-13-27(14-12-26)22-8-6-5-7-21(22)25-23(28)18-9-10-20-19(15-18)16(2)17(3)24-20/h5-10,15,24H,4,11-14H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 23474767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).