1-benzyl-N-[4-(carbamoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide

C21H22N4O2 — CID 55528829

IUPAC1-benzyl-N-[4-(carbamoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(NC(N)=O)cc2)c(C)n1Cc1ccccc1
InChIInChI=1S/C21H22N4O2/c1-14-12-19(15(2)25(14)13-16-6-4-3-5-7-16)20(26)23-17-8-10-18(11-9-17)24-21(22)27/h3-12H,13H2,1-2H3,(H,23,26)(H3,22,24,27)
InChIKeyYBGWCEWQZCOONX-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.90
Rot. Bonds5

About 1-benzyl-N-[4-(carbamoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide

1-benzyl-N-[4-(carbamoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 55528829) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-benzyl-N-[4-(carbamoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[4-(carbamoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID55528829
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-benzyl-N-[4-(carbamoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(NC(N)=O)cc2)c(C)n1Cc1ccccc1
InChIInChI=1S/C21H22N4O2/c1-14-12-19(15(2)25(14)13-16-6-4-3-5-7-16)20(26)23-17-8-10-18(11-9-17)24-21(22)27/h3-12H,13H2,1-2H3,(H,23,26)(H3,22,24,27)
InChIKeyYBGWCEWQZCOONX-UHFFFAOYSA-N
XLogP3.90
TPSA89.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-N-[4-(carbamoylamino)phenyl]-2,5-dimethylpyrrole-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

1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
2-[(1-benzyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanediamide
CID 56807575
N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383546
1-benzyl-2,5-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrrole-3-carboxamide
CID 55679814
N-[4-(furan-2-carbonylamino)phenyl]-2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
CID 166200883
1-benzyl-2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxamide
CID 30771595
ethyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 661090
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 46819165
N-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119641511
N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119607026
N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30683396
1-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 136578278

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-(carbamoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-benzyl-N-[4-(carbamoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide (CID 55528829) is 1-benzyl-N-[4-(carbamoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[4-(carbamoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[4-(carbamoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(NC(N)=O)cc2)c(C)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[4-(carbamoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is YBGWCEWQZCOONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-12-19(15(2)25(14)13-16-6-4-3-5-7-16)20(26)23-17-8-10-18(11-9-17)24-21(22)27/h3-12H,13H2,1-2H3,(H,23,26)(H3,22,24,27).
What are the key properties of 1-benzyl-N-[4-(carbamoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide?
1-benzyl-N-[4-(carbamoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-(carbamoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 55528829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).