2-N-(3-carbamoyl-2-methylphenyl)-1H-pyrrole-2,4-dicarboxamide

C14H14N4O3 — CID 166225226

IUPAC2-N-(3-carbamoyl-2-methylphenyl)-1H-pyrrole-2,4-dicarboxamide
SMILESCc1c(NC(=O)c2cc(C(N)=O)c[nH]2)cccc1C(N)=O
InChIInChI=1S/C14H14N4O3/c1-7-9(13(16)20)3-2-4-10(7)18-14(21)11-5-8(6-17-11)12(15)19/h2-6,17H,1H3,(H2,15,19)(H2,16,20)(H,18,21)
InChIKeyRGOVOIISXXFMDT-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.77
Rot. Bonds4

About 2-N-(3-carbamoyl-2-methylphenyl)-1H-pyrrole-2,4-dicarboxamide

2-N-(3-carbamoyl-2-methylphenyl)-1H-pyrrole-2,4-dicarboxamide (PubChem CID 166225226) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-N-(3-carbamoyl-2-methylphenyl)-1H-pyrrole-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-carbamoyl-2-methylphenyl)-1H-pyrrole-2,4-dicarboxamide
PubChem CID166225226
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name2-N-(3-carbamoyl-2-methylphenyl)-1H-pyrrole-2,4-dicarboxamide
SMILESCc1c(NC(=O)c2cc(C(N)=O)c[nH]2)cccc1C(N)=O
InChIInChI=1S/C14H14N4O3/c1-7-9(13(16)20)3-2-4-10(7)18-14(21)11-5-8(6-17-11)12(15)19/h2-6,17H,1H3,(H2,15,19)(H2,16,20)(H,18,21)
InChIKeyRGOVOIISXXFMDT-UHFFFAOYSA-N
XLogP0.77
TPSA131.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-N-(3-carbamoyl-2-methylphenyl)-1H-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-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide
CID 43643909
N-(3-carbamoyl-2-methylphenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 34577805
3-amino-N-(3-carbamoyl-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62805976
2-N-[2-(1H-imidazol-2-yl)phenyl]-1H-pyrrole-2,4-dicarboxamide
CID 167859788
4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 64793249
3-[(2-chloroacetyl)amino]-2-methylbenzamide
CID 43698457
2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281785
4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide
CID 34584567
4-acetyl-N-(3-chloro-2-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 9090081
2-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 61259573
2-methyl-3-(propan-2-ylamino)benzamide
CID 43694179

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-carbamoyl-2-methylphenyl)-1H-pyrrole-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-carbamoyl-2-methylphenyl)-1H-pyrrole-2,4-dicarboxamide (CID 166225226) is 2-N-(3-carbamoyl-2-methylphenyl)-1H-pyrrole-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-carbamoyl-2-methylphenyl)-1H-pyrrole-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-carbamoyl-2-methylphenyl)-1H-pyrrole-2,4-dicarboxamide is Cc1c(NC(=O)c2cc(C(N)=O)c[nH]2)cccc1C(N)=O.
What is the InChIKey of 2-N-(3-carbamoyl-2-methylphenyl)-1H-pyrrole-2,4-dicarboxamide?
The InChIKey is RGOVOIISXXFMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-7-9(13(16)20)3-2-4-10(7)18-14(21)11-5-8(6-17-11)12(15)19/h2-6,17H,1H3,(H2,15,19)(H2,16,20)(H,18,21).
What are the key properties of 2-N-(3-carbamoyl-2-methylphenyl)-1H-pyrrole-2,4-dicarboxamide?
2-N-(3-carbamoyl-2-methylphenyl)-1H-pyrrole-2,4-dicarboxamide has a molecular weight of 286.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-carbamoyl-2-methylphenyl)-1H-pyrrole-2,4-dicarboxamide is sourced from PubChem (CID 166225226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).