2-(2,6-dioxopiperidin-3-yl)-N-(naphthalen-2-ylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide

C25H22N4O4 — CID 67229489

IUPAC2-(2,6-dioxopiperidin-3-yl)-N-(naphthalen-2-ylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide
SMILESO=C1CCC(N2Cc3cccc(C(=O)NC(=O)Nc4ccc5ccccc5c4)c3C2)C(=O)N1
InChIInChI=1S/C25H22N4O4/c30-22-11-10-21(24(32)27-22)29-13-17-6-3-7-19(20(17)14-29)23(31)28-25(33)26-18-9-8-15-4-1-2-5-16(15)12-18/h1-9,12,21H,10-11,13-14H2,(H,27,30,32)(H2,26,28,31,33)
InChIKeyQDZPGQJRIJVOBP-UHFFFAOYSA-N
MW442.48 g/mol
LogP2.92
Rot. Bonds3

About 2-(2,6-dioxopiperidin-3-yl)-N-(naphthalen-2-ylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide

2-(2,6-dioxopiperidin-3-yl)-N-(naphthalen-2-ylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide (PubChem CID 67229489) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-N-(naphthalen-2-ylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-N-(naphthalen-2-ylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide
PubChem CID67229489
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-N-(naphthalen-2-ylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide
SMILESO=C1CCC(N2Cc3cccc(C(=O)NC(=O)Nc4ccc5ccccc5c4)c3C2)C(=O)N1
InChIInChI=1S/C25H22N4O4/c30-22-11-10-21(24(32)27-22)29-13-17-6-3-7-19(20(17)14-29)23(31)28-25(33)26-18-9-8-15-4-1-2-5-16(15)12-18/h1-9,12,21H,10-11,13-14H2,(H,27,30,32)(H2,26,28,31,33)
InChIKeyQDZPGQJRIJVOBP-UHFFFAOYSA-N
XLogP2.92
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 52.92
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

2-(2,6-dioxopiperidin-3-yl)-N-(phenylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide
CID 67229967
N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-4-carboxamide
CID 67228934
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023299
N-[(3,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide
CID 67230176
N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023304
3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 130335320
N-carbamoyl-2-(2,6-dioxopiperidin-3-yl)-N-naphthalen-2-yl-1,3-dihydroisoindole-5-carboxamide
CID 134536902
N-[(2,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023326
1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-3-naphthalen-2-ylurea
CID 91569002
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carboxamide
CID 67023236
3-[4-[2-(methylamino)ethylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175697338
3-[4-(3-aminopropoxy)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175855337

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-N-(naphthalen-2-ylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-N-(naphthalen-2-ylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide (CID 67229489) is 2-(2,6-dioxopiperidin-3-yl)-N-(naphthalen-2-ylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-N-(naphthalen-2-ylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-N-(naphthalen-2-ylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide is O=C1CCC(N2Cc3cccc(C(=O)NC(=O)Nc4ccc5ccccc5c4)c3C2)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-N-(naphthalen-2-ylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide?
The InChIKey is QDZPGQJRIJVOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c30-22-11-10-21(24(32)27-22)29-13-17-6-3-7-19(20(17)14-29)23(31)28-25(33)26-18-9-8-15-4-1-2-5-16(15)12-18/h1-9,12,21H,10-11,13-14H2,(H,27,30,32)(H2,26,28,31,33).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-N-(naphthalen-2-ylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide?
2-(2,6-dioxopiperidin-3-yl)-N-(naphthalen-2-ylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-N-(naphthalen-2-ylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide is sourced from PubChem (CID 67229489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).