2,5-dimethyl-4-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide

C21H27N3O2 — CID 3436273

IUPAC2,5-dimethyl-4-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
SMILESCc1ccc(-c2c(C(N)=O)c(C)n(CCCN3CCCC3=O)c2C)cc1
InChIInChI=1S/C21H27N3O2/c1-14-7-9-17(10-8-14)19-15(2)24(16(3)20(19)21(22)26)13-5-12-23-11-4-6-18(23)25/h7-10H,4-6,11-13H2,1-3H3,(H2,22,26)
InChIKeyZZXAZDPHKGTWDT-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.19
Rot. Bonds6

About 2,5-dimethyl-4-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide

2,5-dimethyl-4-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide (PubChem CID 3436273) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2,5-dimethyl-4-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-4-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
PubChem CID3436273
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2,5-dimethyl-4-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
SMILESCc1ccc(-c2c(C(N)=O)c(C)n(CCCN3CCCC3=O)c2C)cc1
InChIInChI=1S/C21H27N3O2/c1-14-7-9-17(10-8-14)19-15(2)24(16(3)20(19)21(22)26)13-5-12-23-11-4-6-18(23)25/h7-10H,4-6,11-13H2,1-3H3,(H2,22,26)
InChIKeyZZXAZDPHKGTWDT-UHFFFAOYSA-N
XLogP3.19
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 3816605
2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide
CID 4992163
4-(2-methoxyphenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 4236636
4-(4-methoxyphenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide
CID 3789443
4-(4-cyanophenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide
CID 5012624
2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide
CID 3564068
5-butyl-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-quinolin-2-ylpyrrole-3-carboxamide
CID 4985747
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 3860026
4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide
CID 3874510
1-benzyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3458607
2-methyl-4-(4-methylphenyl)-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 3758557
5-butyl-2-methyl-4-(4-methylphenyl)-1-prop-2-enylpyrrole-3-carboxamide
CID 3766755

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-4-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide (CID 3436273) is 2,5-dimethyl-4-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-4-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-4-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide is Cc1ccc(-c2c(C(N)=O)c(C)n(CCCN3CCCC3=O)c2C)cc1.
What is the InChIKey of 2,5-dimethyl-4-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide?
The InChIKey is ZZXAZDPHKGTWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14-7-9-17(10-8-14)19-15(2)24(16(3)20(19)21(22)26)13-5-12-23-11-4-6-18(23)25/h7-10H,4-6,11-13H2,1-3H3,(H2,22,26).
What are the key properties of 2,5-dimethyl-4-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide?
2,5-dimethyl-4-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide is sourced from PubChem (CID 3436273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).