1-methyl-2-N-[4-(methylcarbamoyl)phenyl]pyrrole-2,4-dicarboxamide

C15H16N4O3 — CID 136513814

IUPAC1-methyl-2-N-[4-(methylcarbamoyl)phenyl]pyrrole-2,4-dicarboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc(C(N)=O)cn2C)cc1
InChIInChI=1S/C15H16N4O3/c1-17-14(21)9-3-5-11(6-4-9)18-15(22)12-7-10(13(16)20)8-19(12)2/h3-8H,1-2H3,(H2,16,20)(H,17,21)(H,18,22)
InChIKeyHZCBFFJMMXYJMN-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.74
Rot. Bonds4

About 1-methyl-2-N-[4-(methylcarbamoyl)phenyl]pyrrole-2,4-dicarboxamide

1-methyl-2-N-[4-(methylcarbamoyl)phenyl]pyrrole-2,4-dicarboxamide (PubChem CID 136513814) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-methyl-2-N-[4-(methylcarbamoyl)phenyl]pyrrole-2,4-dicarboxamide.

Molecular Properties

Compound Name1-methyl-2-N-[4-(methylcarbamoyl)phenyl]pyrrole-2,4-dicarboxamide
PubChem CID136513814
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name1-methyl-2-N-[4-(methylcarbamoyl)phenyl]pyrrole-2,4-dicarboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc(C(N)=O)cn2C)cc1
InChIInChI=1S/C15H16N4O3/c1-17-14(21)9-3-5-11(6-4-9)18-15(22)12-7-10(13(16)20)8-19(12)2/h3-8H,1-2H3,(H2,16,20)(H,17,21)(H,18,22)
InChIKeyHZCBFFJMMXYJMN-UHFFFAOYSA-N
XLogP0.74
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-N-[4-(methylcarbamoyl)phenyl]pyrrole-2,4-dicarboxamide 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

4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide
CID 43642890
2-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-methylpyrrole-2,4-dicarboxamide
CID 136513840
N-(4-carbamoylphenyl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 29374337
1-methyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrole-2,4-dicarboxamide
CID 136513810
N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 6466922
methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate
CID 61117355
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
4-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 28740773
4-acetamido-1-methyl-N-[1-methyl-5-[[1-methyl-5-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide
CID 162488190
4-bromo-N-[4-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60954402
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779
ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate
CID 61112295

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-N-[4-(methylcarbamoyl)phenyl]pyrrole-2,4-dicarboxamide?
The IUPAC name of 1-methyl-2-N-[4-(methylcarbamoyl)phenyl]pyrrole-2,4-dicarboxamide (CID 136513814) is 1-methyl-2-N-[4-(methylcarbamoyl)phenyl]pyrrole-2,4-dicarboxamide.
What is the SMILES notation for 1-methyl-2-N-[4-(methylcarbamoyl)phenyl]pyrrole-2,4-dicarboxamide?
The canonical SMILES for 1-methyl-2-N-[4-(methylcarbamoyl)phenyl]pyrrole-2,4-dicarboxamide is CNC(=O)c1ccc(NC(=O)c2cc(C(N)=O)cn2C)cc1.
What is the InChIKey of 1-methyl-2-N-[4-(methylcarbamoyl)phenyl]pyrrole-2,4-dicarboxamide?
The InChIKey is HZCBFFJMMXYJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-17-14(21)9-3-5-11(6-4-9)18-15(22)12-7-10(13(16)20)8-19(12)2/h3-8H,1-2H3,(H2,16,20)(H,17,21)(H,18,22).
What are the key properties of 1-methyl-2-N-[4-(methylcarbamoyl)phenyl]pyrrole-2,4-dicarboxamide?
1-methyl-2-N-[4-(methylcarbamoyl)phenyl]pyrrole-2,4-dicarboxamide has a molecular weight of 300.32 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-N-[4-(methylcarbamoyl)phenyl]pyrrole-2,4-dicarboxamide is sourced from PubChem (CID 136513814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).