4-ethyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

C23H27N3O — CID 42810102

IUPAC4-ethyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESCCc1c(C)c(C(=O)NCc2ccncc2)n(Cc2ccccc2C)c1C
InChIInChI=1S/C23H27N3O/c1-5-21-17(3)22(23(27)25-14-19-10-12-24-13-11-19)26(18(21)4)15-20-9-7-6-8-16(20)2/h6-13H,5,14-15H2,1-4H3,(H,25,27)
InChIKeyDJPMZBXTIHBQIA-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.35
Rot. Bonds6

About 4-ethyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

4-ethyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (PubChem CID 42810102) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-ethyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
PubChem CID42810102
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name4-ethyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESCCc1c(C)c(C(=O)NCc2ccncc2)n(Cc2ccccc2C)c1C
InChIInChI=1S/C23H27N3O/c1-5-21-17(3)22(23(27)25-14-19-10-12-24-13-11-19)26(18(21)4)15-20-9-7-6-8-16(20)2/h6-13H,5,14-15H2,1-4H3,(H,25,27)
InChIKeyDJPMZBXTIHBQIA-UHFFFAOYSA-N
XLogP4.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)pyrrole-2-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

4-ethyl-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 24718292
1-[(2,4-difluorophenyl)methyl]-4-ethyl-N-[(4-fluorophenyl)methyl]-3,5-dimethylpyrrole-2-carboxamide
CID 42810113
2-methyl-6-[(2-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109368512
2-N-[(2-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085604
4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147996
4-ethyl-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide
CID 42810306
3-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070321
5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 46139091
6-(2-ethyl-6-methylanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121427
5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 110497698
2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097211
1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 141085829

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-ethyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (CID 42810102) is 4-ethyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-ethyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-ethyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is CCc1c(C)c(C(=O)NCc2ccncc2)n(Cc2ccccc2C)c1C.
What is the InChIKey of 4-ethyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is DJPMZBXTIHBQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-5-21-17(3)22(23(27)25-14-19-10-12-24-13-11-19)26(18(21)4)15-20-9-7-6-8-16(20)2/h6-13H,5,14-15H2,1-4H3,(H,25,27).
What are the key properties of 4-ethyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
4-ethyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 42810102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).