1,2,5-trimethyl-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide

C17H22N2O — CID 125145147

IUPAC1,2,5-trimethyl-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C(C)C)c(C)n1C
InChIInChI=1S/C17H22N2O/c1-11(2)14-8-6-7-9-16(14)18-17(20)15-10-12(3)19(5)13(15)4/h6-11H,1-5H3,(H,18,20)
InChIKeyMHKMXMQTWNEKIO-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.02
Rot. Bonds3

About 1,2,5-trimethyl-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide

1,2,5-trimethyl-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide (PubChem CID 125145147) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1,2,5-trimethyl-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide
PubChem CID125145147
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1,2,5-trimethyl-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C(C)C)c(C)n1C
InChIInChI=1S/C17H22N2O/c1-11(2)14-8-6-7-9-16(14)18-17(20)15-10-12(3)19(5)13(15)4/h6-11H,1-5H3,(H,18,20)
InChIKeyMHKMXMQTWNEKIO-UHFFFAOYSA-N
XLogP4.02
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2,5-trimethyl-N-(2-propan-2-ylphenyl)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

1,2,5-trimethyl-N-(2-methylphenyl)pyrrole-3-carboxamide
CID 9182741
N-(2-ethylphenyl)-1,2,5-trimethylpyrrole-3-carboxamide
CID 125145143
1,5-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110685790
2-iodo-N-(2-propan-2-ylphenyl)benzamide
CID 615900
2-hydrazinyl-5-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 62510956
2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide
CID 103891803
2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 966223
1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide
CID 110691327
N-(2-propan-2-ylphenyl)benzamide
CID 723391
2,3-dimethyl-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
CID 110858100
2-methoxy-3-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 17101838
5-amino-2-methyl-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 61039486

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 1,2,5-trimethyl-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide (CID 125145147) is 1,2,5-trimethyl-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1,2,5-trimethyl-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 1,2,5-trimethyl-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2C(C)C)c(C)n1C.
What is the InChIKey of 1,2,5-trimethyl-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide?
The InChIKey is MHKMXMQTWNEKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11(2)14-8-6-7-9-16(14)18-17(20)15-10-12(3)19(5)13(15)4/h6-11H,1-5H3,(H,18,20).
What are the key properties of 1,2,5-trimethyl-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide?
1,2,5-trimethyl-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 125145147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).