2,5-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrrole-3-carboxamide

C21H24N4O — CID 131933198

IUPAC2,5-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrrole-3-carboxamide
SMILESCc1cnccc1NCCNC(=O)c1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C21H24N4O/c1-15-14-22-10-9-20(15)23-11-12-24-21(26)19-13-16(2)25(17(19)3)18-7-5-4-6-8-18/h4-10,13-14H,11-12H2,1-3H3,(H,22,23)(H,24,26)
InChIKeyWNDJOSSODLUNCX-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.64
Rot. Bonds6

About 2,5-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrrole-3-carboxamide

2,5-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrrole-3-carboxamide (PubChem CID 131933198) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrrole-3-carboxamide
PubChem CID131933198
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2,5-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrrole-3-carboxamide
SMILESCc1cnccc1NCCNC(=O)c1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C21H24N4O/c1-15-14-22-10-9-20(15)23-11-12-24-21(26)19-13-16(2)25(17(19)3)18-7-5-4-6-8-18/h4-10,13-14H,11-12H2,1-3H3,(H,22,23)(H,24,26)
InChIKeyWNDJOSSODLUNCX-UHFFFAOYSA-N
XLogP3.64
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrrole-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-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide
CID 119074513
2,5-dimethyl-1-(2-methylphenyl)-N-[2-(pyrazin-2-ylamino)ethyl]pyrrole-3-carboxamide
CID 51125389
5-[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]pentanoic acid
CID 119234907
5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide
CID 131912295
2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 90647553
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 55348355
N-[2-(4-methoxyphenoxy)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 6736808
2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 131912498
2-(1,3-dihydroisoindol-2-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 131922886
2,5-dimethyl-1-phenyl-N-[(Z)-1-phenylpropylideneamino]pyrrole-3-carboxamide
CID 7929302
2,5-dimethyl-N-[2-(methylamino)ethyl]-1-(3-methylphenyl)pyrrole-3-carboxamide;hydrochloride
CID 119502830
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide
CID 131906584

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrrole-3-carboxamide (CID 131933198) is 2,5-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrrole-3-carboxamide is Cc1cnccc1NCCNC(=O)c1cc(C)n(-c2ccccc2)c1C.
What is the InChIKey of 2,5-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrrole-3-carboxamide?
The InChIKey is WNDJOSSODLUNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-14-22-10-9-20(15)23-11-12-24-21(26)19-13-16(2)25(17(19)3)18-7-5-4-6-8-18/h4-10,13-14H,11-12H2,1-3H3,(H,22,23)(H,24,26).
What are the key properties of 2,5-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrrole-3-carboxamide?
2,5-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrrole-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 131933198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).