N-carbamoyl-2-(2,6-dioxopiperidin-3-yl)-N-naphthalen-2-yl-1,3-dihydroisoindole-5-carboxamide

C25H22N4O4 — CID 134536902

IUPACN-carbamoyl-2-(2,6-dioxopiperidin-3-yl)-N-naphthalen-2-yl-1,3-dihydroisoindole-5-carboxamide
SMILESNC(=O)N(C(=O)c1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2)c1ccc2ccccc2c1
InChIInChI=1S/C25H22N4O4/c26-25(33)29(20-8-7-15-3-1-2-4-16(15)12-20)24(32)17-5-6-18-13-28(14-19(18)11-17)21-9-10-22(30)27-23(21)31/h1-8,11-12,21H,9-10,13-14H2,(H2,26,33)(H,27,30,31)
InChIKeyTVSVUDJSIHXECN-UHFFFAOYSA-N
MW442.48 g/mol
LogP2.69
Rot. Bonds3

About N-carbamoyl-2-(2,6-dioxopiperidin-3-yl)-N-naphthalen-2-yl-1,3-dihydroisoindole-5-carboxamide

N-carbamoyl-2-(2,6-dioxopiperidin-3-yl)-N-naphthalen-2-yl-1,3-dihydroisoindole-5-carboxamide (PubChem CID 134536902) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-carbamoyl-2-(2,6-dioxopiperidin-3-yl)-N-naphthalen-2-yl-1,3-dihydroisoindole-5-carboxamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2,6-dioxopiperidin-3-yl)-N-naphthalen-2-yl-1,3-dihydroisoindole-5-carboxamide
PubChem CID134536902
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC NameN-carbamoyl-2-(2,6-dioxopiperidin-3-yl)-N-naphthalen-2-yl-1,3-dihydroisoindole-5-carboxamide
SMILESNC(=O)N(C(=O)c1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2)c1ccc2ccccc2c1
InChIInChI=1S/C25H22N4O4/c26-25(33)29(20-8-7-15-3-1-2-4-16(15)12-20)24(32)17-5-6-18-13-28(14-19(18)11-17)21-9-10-22(30)27-23(21)31/h1-8,11-12,21H,9-10,13-14H2,(H2,26,33)(H,27,30,31)
InChIKeyTVSVUDJSIHXECN-UHFFFAOYSA-N
XLogP2.69
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-carbamoyl-2-(2,6-dioxopiperidin-3-yl)-N-naphthalen-2-yl-1,3-dihydroisoindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 171058791
2-(2,6-dioxopiperidin-3-yl)-N-(naphthalen-2-ylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide
CID 67229489
N-[3-(diethylamino)propylcarbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 66589503
N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023304
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023299
3-[5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170158027
3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 167293608
N-[(2,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023326
2-(2,6-dioxopiperidin-3-yl)-N-(6-ethoxypyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxamide
CID 67023167
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]piperidine-4-carbaldehyde
CID 176695485
3-[5-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170158044
3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 130335320

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(2,6-dioxopiperidin-3-yl)-N-naphthalen-2-yl-1,3-dihydroisoindole-5-carboxamide?
The IUPAC name of N-carbamoyl-2-(2,6-dioxopiperidin-3-yl)-N-naphthalen-2-yl-1,3-dihydroisoindole-5-carboxamide (CID 134536902) is N-carbamoyl-2-(2,6-dioxopiperidin-3-yl)-N-naphthalen-2-yl-1,3-dihydroisoindole-5-carboxamide.
What is the SMILES notation for N-carbamoyl-2-(2,6-dioxopiperidin-3-yl)-N-naphthalen-2-yl-1,3-dihydroisoindole-5-carboxamide?
The canonical SMILES for N-carbamoyl-2-(2,6-dioxopiperidin-3-yl)-N-naphthalen-2-yl-1,3-dihydroisoindole-5-carboxamide is NC(=O)N(C(=O)c1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2)c1ccc2ccccc2c1.
What is the InChIKey of N-carbamoyl-2-(2,6-dioxopiperidin-3-yl)-N-naphthalen-2-yl-1,3-dihydroisoindole-5-carboxamide?
The InChIKey is TVSVUDJSIHXECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c26-25(33)29(20-8-7-15-3-1-2-4-16(15)12-20)24(32)17-5-6-18-13-28(14-19(18)11-17)21-9-10-22(30)27-23(21)31/h1-8,11-12,21H,9-10,13-14H2,(H2,26,33)(H,27,30,31).
What are the key properties of N-carbamoyl-2-(2,6-dioxopiperidin-3-yl)-N-naphthalen-2-yl-1,3-dihydroisoindole-5-carboxamide?
N-carbamoyl-2-(2,6-dioxopiperidin-3-yl)-N-naphthalen-2-yl-1,3-dihydroisoindole-5-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(2,6-dioxopiperidin-3-yl)-N-naphthalen-2-yl-1,3-dihydroisoindole-5-carboxamide is sourced from PubChem (CID 134536902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).