4-(4-cyanophenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide

C23H28N4O2 — CID 5012624

IUPAC4-(4-cyanophenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide
SMILESCCCc1c(-c2ccc(C#N)cc2)c(C(N)=O)c(C)n1CCCN1CCCC1=O
InChIInChI=1S/C23H28N4O2/c1-3-6-19-22(18-10-8-17(15-24)9-11-18)21(23(25)29)16(2)27(19)14-5-13-26-12-4-7-20(26)28/h8-11H,3-7,12-14H2,1-2H3,(H2,25,29)
InChIKeyDPDUCBFLJIZRGH-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.40
Rot. Bonds8

About 4-(4-cyanophenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide

4-(4-cyanophenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide (PubChem CID 5012624) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide
PubChem CID5012624
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name4-(4-cyanophenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide
SMILESCCCc1c(-c2ccc(C#N)cc2)c(C(N)=O)c(C)n1CCCN1CCCC1=O
InChIInChI=1S/C23H28N4O2/c1-3-6-19-22(18-10-8-17(15-24)9-11-18)21(23(25)29)16(2)27(19)14-5-13-26-12-4-7-20(26)28/h8-11H,3-7,12-14H2,1-2H3,(H2,25,29)
InChIKeyDPDUCBFLJIZRGH-UHFFFAOYSA-N
XLogP3.40
TPSA92.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide
CID 3789443
2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide
CID 3564068
4-(4-cyanophenyl)-2-methyl-1,5-dipropylpyrrole-3-carboxamide
CID 5019028
2,5-dimethyl-4-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 3436273
4-(4-cyanophenyl)-5-ethyl-2-methyl-1-undecylpyrrole-3-carboxamide
CID 3864069
5-butyl-4-(4-cyanophenyl)-1-(3,3-dimethylbutyl)-2-methylpyrrole-3-carboxamide
CID 3445579
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
5-butyl-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-quinolin-2-ylpyrrole-3-carboxamide
CID 4985747
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide
CID 3734908
5-butyl-4-(4-cyanophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3741402

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide?
The IUPAC name of 4-(4-cyanophenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide (CID 5012624) is 4-(4-cyanophenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide.
What is the SMILES notation for 4-(4-cyanophenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide?
The canonical SMILES for 4-(4-cyanophenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide is CCCc1c(-c2ccc(C#N)cc2)c(C(N)=O)c(C)n1CCCN1CCCC1=O.
What is the InChIKey of 4-(4-cyanophenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide?
The InChIKey is DPDUCBFLJIZRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-3-6-19-22(18-10-8-17(15-24)9-11-18)21(23(25)29)16(2)27(19)14-5-13-26-12-4-7-20(26)28/h8-11H,3-7,12-14H2,1-2H3,(H2,25,29).
What are the key properties of 4-(4-cyanophenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide?
4-(4-cyanophenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide is sourced from PubChem (CID 5012624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).