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

C24H32N4O2 — CID 4992163

IUPAC2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(-c2ccc(N3CCCC3)cc2)c(C)n1CCCN1CCCC1=O
InChIInChI=1S/C24H32N4O2/c1-17-22(19-8-10-20(11-9-19)26-12-3-4-13-26)23(24(25)30)18(2)28(17)16-6-15-27-14-5-7-21(27)29/h8-11H,3-7,12-16H2,1-2H3,(H2,25,30)
InChIKeyUIVVSLCZLCHJLY-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.48
Rot. Bonds7

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

2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide (PubChem CID 4992163) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide
PubChem CID4992163
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(-c2ccc(N3CCCC3)cc2)c(C)n1CCCN1CCCC1=O
InChIInChI=1S/C24H32N4O2/c1-17-22(19-8-10-20(11-9-19)26-12-3-4-13-26)23(24(25)30)18(2)28(17)16-6-15-27-14-5-7-21(27)29/h8-11H,3-7,12-16H2,1-2H3,(H2,25,30)
InChIKeyUIVVSLCZLCHJLY-UHFFFAOYSA-N
XLogP3.48
TPSA71.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-4-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 3436273
4-(4-bromophenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 3816605
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
1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide
CID 3828892
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)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111023124
methyl 3-[4-carbamoyl-1-cyclopropyl-5-methyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate
CID 3836286
4-(4-chlorophenyl)-N'-[3-(2-oxoazepan-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111030659

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide (CID 4992163) is 2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide is Cc1c(C(N)=O)c(-c2ccc(N3CCCC3)cc2)c(C)n1CCCN1CCCC1=O.
What is the InChIKey of 2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide?
The InChIKey is UIVVSLCZLCHJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-17-22(19-8-10-20(11-9-19)26-12-3-4-13-26)23(24(25)30)18(2)28(17)16-6-15-27-14-5-7-21(27)29/h8-11H,3-7,12-16H2,1-2H3,(H2,25,30).
What are the key properties of 2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide?
2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 4992163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).