N-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxamide

C13H14N2O — CID 110691132

IUPACN-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc[nH]c2)c1
InChIInChI=1S/C13H14N2O/c1-9-3-4-10(2)12(7-9)15-13(16)11-5-6-14-8-11/h3-8,14H,1-2H3,(H,15,16)
InChIKeyKXLWEYJEROEVSA-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.88
Rot. Bonds2

About N-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxamide

N-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 110691132) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxamide
PubChem CID110691132
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC NameN-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc[nH]c2)c1
InChIInChI=1S/C13H14N2O/c1-9-3-4-10(2)12(7-9)15-13(16)11-5-6-14-8-11/h3-8,14H,1-2H3,(H,15,16)
InChIKeyKXLWEYJEROEVSA-UHFFFAOYSA-N
XLogP2.88
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-(2,5-dimethylphenyl)-1H-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-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581
N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
CID 17257324
N-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 8712515
4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide
CID 8867620
N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2094760
N-(2,5-dimethylphenyl)-4-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 71852752
N-(4-amino-3-methylphenyl)-1H-pyrrole-3-carboxamide
CID 141038982
N-(2,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309132
6-amino-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 62155556
N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 711333
6-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100172
N'-(2,5-dimethylphenyl)-N-(4-methylphenyl)oxamide
CID 44995959

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxamide (CID 110691132) is N-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxamide is Cc1ccc(C)c(NC(=O)c2cc[nH]c2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is KXLWEYJEROEVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-3-4-10(2)12(7-9)15-13(16)11-5-6-14-8-11/h3-8,14H,1-2H3,(H,15,16).
What are the key properties of N-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxamide?
N-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 214.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 110691132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).