2-(2,6-dioxopiperidin-3-yl)-N-(6-ethoxypyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxamide

C22H22N4O5 — CID 67023167

IUPAC2-(2,6-dioxopiperidin-3-yl)-N-(6-ethoxypyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxamide
SMILESCCOc1ccc(C(=O)NC(=O)c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3)cn1
InChIInChI=1S/C22H22N4O5/c1-2-31-19-8-5-14(10-23-19)21(29)25-20(28)13-3-4-15-11-26(12-16(15)9-13)17-6-7-18(27)24-22(17)30/h3-5,8-10,17H,2,6-7,11-12H2,1H3,(H,24,27,30)(H,25,28,29)
InChIKeyHINGPDLFADEGTC-UHFFFAOYSA-N
MW422.44 g/mol
LogP1.17
Rot. Bonds5

About 2-(2,6-dioxopiperidin-3-yl)-N-(6-ethoxypyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxamide

2-(2,6-dioxopiperidin-3-yl)-N-(6-ethoxypyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxamide (PubChem CID 67023167) has the molecular formula C22H22N4O5 and a molecular weight of 422.44 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-N-(6-ethoxypyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-N-(6-ethoxypyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxamide
PubChem CID67023167
Molecular FormulaC22H22N4O5
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-N-(6-ethoxypyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxamide
SMILESCCOc1ccc(C(=O)NC(=O)c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3)cn1
InChIInChI=1S/C22H22N4O5/c1-2-31-19-8-5-14(10-23-19)21(29)25-20(28)13-3-4-15-11-26(12-16(15)9-13)17-6-7-18(27)24-22(17)30/h3-5,8-10,17H,2,6-7,11-12H2,1H3,(H,24,27,30)(H,25,28,29)
InChIKeyHINGPDLFADEGTC-UHFFFAOYSA-N
XLogP1.17
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylamino)propylcarbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 66589503
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023299
N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023304
N-[(2,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023326
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,6-dihydroisoindol-5-yl]methyl]-6-ethoxypyridine-3-carboxamide
CID 118895757
2-(2,6-dioxopiperidin-3-yl)-N-[[4-(trifluoromethylsulfanyl)phenyl]carbamothioyl]-1,3-dihydroisoindole-5-carboxamide
CID 87240350
N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023218
3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 171058791
2-(2,6-dioxopiperidin-3-yl)-N-(4-ethylsulfonylbenzoyl)-3-oxo-1H-isoindole-5-carboxamide
CID 67023258
N-carbamoyl-2-(2,6-dioxopiperidin-3-yl)-N-naphthalen-2-yl-1,3-dihydroisoindole-5-carboxamide
CID 134536902
3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 130335320
3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 167293608

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-N-(6-ethoxypyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxamide?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-N-(6-ethoxypyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxamide (CID 67023167) is 2-(2,6-dioxopiperidin-3-yl)-N-(6-ethoxypyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-N-(6-ethoxypyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-N-(6-ethoxypyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxamide is CCOc1ccc(C(=O)NC(=O)c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3)cn1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-N-(6-ethoxypyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxamide?
The InChIKey is HINGPDLFADEGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5/c1-2-31-19-8-5-14(10-23-19)21(29)25-20(28)13-3-4-15-11-26(12-16(15)9-13)17-6-7-18(27)24-22(17)30/h3-5,8-10,17H,2,6-7,11-12H2,1H3,(H,24,27,30)(H,25,28,29).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-N-(6-ethoxypyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxamide?
2-(2,6-dioxopiperidin-3-yl)-N-(6-ethoxypyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-N-(6-ethoxypyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxamide is sourced from PubChem (CID 67023167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).