2,5-dimethyl-1-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)pyrrole-3-carboxamide

C20H28N4O — CID 119447744

IUPAC2,5-dimethyl-1-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)pyrrole-3-carboxamide
SMILESCc1cccc(-n2c(C)cc(C(=O)NCCN3CCNCC3)c2C)c1
InChIInChI=1S/C20H28N4O/c1-15-5-4-6-18(13-15)24-16(2)14-19(17(24)3)20(25)22-9-12-23-10-7-21-8-11-23/h4-6,13-14,21H,7-12H2,1-3H3,(H,22,25)
InChIKeyWIYISEKWTFQHLI-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.04
Rot. Bonds5

About 2,5-dimethyl-1-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)pyrrole-3-carboxamide

2,5-dimethyl-1-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)pyrrole-3-carboxamide (PubChem CID 119447744) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2,5-dimethyl-1-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)pyrrole-3-carboxamide
PubChem CID119447744
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2,5-dimethyl-1-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)pyrrole-3-carboxamide
SMILESCc1cccc(-n2c(C)cc(C(=O)NCCN3CCNCC3)c2C)c1
InChIInChI=1S/C20H28N4O/c1-15-5-4-6-18(13-15)24-16(2)14-19(17(24)3)20(25)22-9-12-23-10-7-21-8-11-23/h4-6,13-14,21H,7-12H2,1-3H3,(H,22,25)
InChIKeyWIYISEKWTFQHLI-UHFFFAOYSA-N
XLogP2.04
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-[2-(methylamino)ethyl]-1-(3-methylphenyl)pyrrole-3-carboxamide;hydrochloride
CID 119502830
5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
CID 4209005
1-(4-fluorophenyl)-2,5-dimethyl-N-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride
CID 119393216
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 55348355
2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylic acid
CID 2339295
2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 106862040
N-(2-amino-2-methylpropyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide;hydrochloride
CID 119628984
2,5-dimethyl-N-(3-piperazin-1-ylpropyl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 119393360
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 58358858
2,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 55348072
2-methyl-N-(2-piperazin-1-ylethyl)-5-sulfanylbenzamide
CID 107024052
2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 2423054

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-1-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)pyrrole-3-carboxamide (CID 119447744) is 2,5-dimethyl-1-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)pyrrole-3-carboxamide is Cc1cccc(-n2c(C)cc(C(=O)NCCN3CCNCC3)c2C)c1.
What is the InChIKey of 2,5-dimethyl-1-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)pyrrole-3-carboxamide?
The InChIKey is WIYISEKWTFQHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15-5-4-6-18(13-15)24-16(2)14-19(17(24)3)20(25)22-9-12-23-10-7-21-8-11-23/h4-6,13-14,21H,7-12H2,1-3H3,(H,22,25).
What are the key properties of 2,5-dimethyl-1-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)pyrrole-3-carboxamide?
2,5-dimethyl-1-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)pyrrole-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 119447744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).