N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,6-dihydroisoindol-5-yl]methyl]-6-ethoxypyridine-3-carboxamide

C22H22N4O6 — CID 118895757

IUPACN-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,6-dihydroisoindol-5-yl]methyl]-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCC2C=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=CC2)cn1
InChIInChI=1S/C22H22N4O6/c1-2-32-18-8-4-13(11-23-18)19(28)24-10-12-3-5-14-15(9-12)22(31)26(21(14)30)16-6-7-17(27)25-20(16)29/h4-5,8-9,11-12,16H,2-3,6-7,10H2,1H3,(H,24,28)(H,25,27,29)
InChIKeyJSWWUXXUMLTLRL-UHFFFAOYSA-N
MW438.44 g/mol
LogP0.26
Rot. Bonds6

About N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,6-dihydroisoindol-5-yl]methyl]-6-ethoxypyridine-3-carboxamide

N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,6-dihydroisoindol-5-yl]methyl]-6-ethoxypyridine-3-carboxamide (PubChem CID 118895757) has the molecular formula C22H22N4O6 and a molecular weight of 438.44 g/mol. Its IUPAC name is N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,6-dihydroisoindol-5-yl]methyl]-6-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,6-dihydroisoindol-5-yl]methyl]-6-ethoxypyridine-3-carboxamide
PubChem CID118895757
Molecular FormulaC22H22N4O6
Molecular Weight438.44 g/mol
Exact Mass438.15
IUPAC NameN-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,6-dihydroisoindol-5-yl]methyl]-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCC2C=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=CC2)cn1
InChIInChI=1S/C22H22N4O6/c1-2-32-18-8-4-13(11-23-18)19(28)24-10-12-3-5-14-15(9-12)22(31)26(21(14)30)16-6-7-17(27)25-20(16)29/h4-5,8-9,11-12,16H,2-3,6-7,10H2,1H3,(H,24,28)(H,25,27,29)
InChIKeyJSWWUXXUMLTLRL-UHFFFAOYSA-N
XLogP0.26
TPSA134.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 50.26
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

2-(2,6-dioxopiperidin-3-yl)-N-(6-ethoxypyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxamide
CID 67023167
2-(2,6-dioxopiperidin-3-yl)-N-[(1-ethylcyclopentyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 166426918
2-(2,6-dioxopiperidin-3-yl)-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide
CID 166426897
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethoxypyridine-3-carboxamide
CID 126855511
4-acetyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 71122531
N-[(4-tert-butyl-1,2-oxazol-3-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide
CID 166426954
4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 24788307
2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane
CID 166167636
N-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 166000888
4-(2,6-dioxopiperidin-3-yl)-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione
CID 88553247
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,6-dihydroisoindol-5-yl]methyl]-6-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,6-dihydroisoindol-5-yl]methyl]-6-ethoxypyridine-3-carboxamide (CID 118895757) is N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,6-dihydroisoindol-5-yl]methyl]-6-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,6-dihydroisoindol-5-yl]methyl]-6-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,6-dihydroisoindol-5-yl]methyl]-6-ethoxypyridine-3-carboxamide is CCOc1ccc(C(=O)NCC2C=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=CC2)cn1.
What is the InChIKey of N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,6-dihydroisoindol-5-yl]methyl]-6-ethoxypyridine-3-carboxamide?
The InChIKey is JSWWUXXUMLTLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O6/c1-2-32-18-8-4-13(11-23-18)19(28)24-10-12-3-5-14-15(9-12)22(31)26(21(14)30)16-6-7-17(27)25-20(16)29/h4-5,8-9,11-12,16H,2-3,6-7,10H2,1H3,(H,24,28)(H,25,27,29).
What are the key properties of N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,6-dihydroisoindol-5-yl]methyl]-6-ethoxypyridine-3-carboxamide?
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,6-dihydroisoindol-5-yl]methyl]-6-ethoxypyridine-3-carboxamide has a molecular weight of 438.44 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,6-dihydroisoindol-5-yl]methyl]-6-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 118895757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).