N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide

C24H23N3O3 — CID 60553560

IUPACN-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)c(C)n1-c1ccccc1
InChIInChI=1S/C24H23N3O3/c1-16-15-21(17(2)26(16)19-7-4-3-5-8-19)24(30)25-18-11-13-20(14-12-18)27-22(28)9-6-10-23(27)29/h3-5,7-8,11-15H,6,9-10H2,1-2H3,(H,25,30)
InChIKeyDGVOFTACOKQRHW-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.39
Rot. Bonds4

About N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide

N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide (PubChem CID 60553560) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
PubChem CID60553560
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)c(C)n1-c1ccccc1
InChIInChI=1S/C24H23N3O3/c1-16-15-21(17(2)26(16)19-7-4-3-5-8-19)24(30)25-18-11-13-20(14-12-18)27-22(28)9-6-10-23(27)29/h3-5,7-8,11-15H,6,9-10H2,1-2H3,(H,25,30)
InChIKeyDGVOFTACOKQRHW-UHFFFAOYSA-N
XLogP4.39
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-(2-phenylethyl)benzamide
CID 60553477
2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 2423054
2,5-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1-phenylpyrrole-3-carboxamide
CID 55979378
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 7929263
N-(4-bromophenyl)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoacetamide
CID 22515509
2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxo-N-phenylacetamide
CID 22515358
1-(4-fluorophenyl)-2,5-dimethyl-N-pyridin-4-ylpyrrole-3-carboxamide
CID 39954277
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 36846071
methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 14611450
N-[(E)-benzylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 42991403
N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 34319459
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 31859819

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The IUPAC name of N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide (CID 60553560) is N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)c(C)n1-c1ccccc1.
What is the InChIKey of N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The InChIKey is DGVOFTACOKQRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-16-15-21(17(2)26(16)19-7-4-3-5-8-19)24(30)25-18-11-13-20(14-12-18)27-22(28)9-6-10-23(27)29/h3-5,7-8,11-15H,6,9-10H2,1-2H3,(H,25,30).
What are the key properties of N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 60553560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).