2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide

C21H22N2O — CID 2423054

IUPAC2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1
InChIInChI=1S/C21H22N2O/c1-14-8-10-18(11-9-14)22-21(24)20-13-16(3)23(17(20)4)19-7-5-6-15(2)12-19/h5-13H,1-4H3,(H,22,24)
InChIKeyBGFMLJRYKZBRRQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.96
Rot. Bonds3

About 2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide

2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide (PubChem CID 2423054) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide
PubChem CID2423054
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1
InChIInChI=1S/C21H22N2O/c1-14-8-10-18(11-9-14)22-21(24)20-13-16(3)23(17(20)4)19-7-5-6-15(2)12-19/h5-13H,1-4H3,(H,22,24)
InChIKeyBGFMLJRYKZBRRQ-UHFFFAOYSA-N
XLogP4.96
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide 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-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 26695119
2,5-dimethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 56577119
N-(5-acetamido-2-methoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 29294399
2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylic acid
CID 2339295
2,5-dimethyl-N-[2-(methylamino)ethyl]-1-(3-methylphenyl)pyrrole-3-carboxamide;hydrochloride
CID 119502830
N-[(2S)-1-aminopropan-2-yl]-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 120507388
N-(2-amino-2-methylpropyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide;hydrochloride
CID 119628984
N-[4-(ethylcarbamoyl)phenyl]-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 55972355
N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 60553560
methyl 2-[[4-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]amino]acetate
CID 39678474
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide
CID 55702473
2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxo-N-phenylacetamide
CID 22515358

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide (CID 2423054) is 2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide is Cc1ccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1.
What is the InChIKey of 2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide?
The InChIKey is BGFMLJRYKZBRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-14-8-10-18(11-9-14)22-21(24)20-13-16(3)23(17(20)4)19-7-5-6-15(2)12-19/h5-13H,1-4H3,(H,22,24).
What are the key properties of 2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide?
2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 2423054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).