4-acetyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide

C24H26N4O5 — CID 177188105

IUPAC4-acetyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)[nH]c(C)c1C(C)=O
InChIInChI=1S/C24H26N4O5/c1-4-5-17-20(13(3)29)12(2)25-21(17)23(32)26-15-6-7-16-14(10-15)11-28(24(16)33)18-8-9-19(30)27-22(18)31/h6-7,10,18,25H,4-5,8-9,11H2,1-3H3,(H,26,32)(H,27,30,31)
InChIKeySTHZBVLXBVCOFY-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.49
Rot. Bonds6

About 4-acetyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide (PubChem CID 177188105) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is 4-acetyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
PubChem CID177188105
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name4-acetyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)[nH]c(C)c1C(C)=O
InChIInChI=1S/C24H26N4O5/c1-4-5-17-20(13(3)29)12(2)25-21(17)23(32)26-15-6-7-16-14(10-15)11-28(24(16)33)18-8-9-19(30)27-22(18)31/h6-7,10,18,25H,4-5,8-9,11H2,1-3H3,(H,26,32)(H,27,30,31)
InChIKeySTHZBVLXBVCOFY-UHFFFAOYSA-N
XLogP2.49
TPSA128.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4,5-dimethyl-1H-pyrrole-2-carboxamide
CID 177188047
5-acetamido-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide
CID 177188021
6-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide
CID 177188070
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,5,7-trimethyl-1H-indole-2-carboxamide
CID 177188184
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 176614145
4-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethoxy-1H-pyrazole-5-carboxamide
CID 177188039
3-cyano-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-pyrrole-2-carboxamide
CID 177187855
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-hydroxy-1H-indole-2-carboxamide
CID 177187886
2-(4-aminocyclohexyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]acetamide
CID 175806262
3-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 177188016
4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-propan-2-yl-1H-imidazole-2-carboxamide
CID 177187832
5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methyl-1H-indole-2-carboxamide
CID 177187982

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide (CID 177188105) is 4-acetyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide is CCCc1c(C(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide?
The InChIKey is STHZBVLXBVCOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-4-5-17-20(13(3)29)12(2)25-21(17)23(32)26-15-6-7-16-14(10-15)11-28(24(16)33)18-8-9-19(30)27-22(18)31/h6-7,10,18,25H,4-5,8-9,11H2,1-3H3,(H,26,32)(H,27,30,31).
What are the key properties of 4-acetyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 177188105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).