[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-tert-butyl-4-pyridinyl)-N-methylcarbamate

C24H26N4O5 — CID 169322774

IUPAC[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-tert-butyl-4-pyridinyl)-N-methylcarbamate
SMILESCN(C(=O)Oc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C24H26N4O5/c1-24(2,3)19-11-15(9-10-25-19)27(4)23(32)33-16-6-5-14-13-28(22(31)17(14)12-16)18-7-8-20(29)26-21(18)30/h5-6,9-12,18H,7-8,13H2,1-4H3,(H,26,29,30)
InChIKeyZWIRJUOSYFEVKJ-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.78
Rot. Bonds3

About [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-tert-butyl-4-pyridinyl)-N-methylcarbamate

[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-tert-butyl-4-pyridinyl)-N-methylcarbamate (PubChem CID 169322774) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-tert-butyl-4-pyridinyl)-N-methylcarbamate.

Molecular Properties

Compound Name[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-tert-butyl-4-pyridinyl)-N-methylcarbamate
PubChem CID169322774
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-tert-butyl-4-pyridinyl)-N-methylcarbamate
SMILESCN(C(=O)Oc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C24H26N4O5/c1-24(2,3)19-11-15(9-10-25-19)27(4)23(32)33-16-6-5-14-13-28(22(31)17(14)12-16)18-7-8-20(29)26-21(18)30/h5-6,9-12,18H,7-8,13H2,1-4H3,(H,26,29,30)
InChIKeyZWIRJUOSYFEVKJ-UHFFFAOYSA-N
XLogP2.78
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(3-fluoro-4-methylphenyl)-N-methylcarbamate
CID 170781368
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl]-N-methylcarbamate
CID 172555134
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(5-tert-butyl-2-fluorophenyl)-N-methylcarbamate
CID 169322812
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-fluoro-4-pyridin-2-ylphenyl)-N-methylcarbamate
CID 170781353
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] hypoiodite
CID 146411045
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 166410779
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(1'-cyclobutyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)-N-methylcarbamate
CID 178070333
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(1'-cyclopropyl-6'-fluoro-2'-oxospiro[cyclobutane-1,3'-indole]-5'-yl)-N-methylcarbamate
CID 178070342
[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-3-oxo-1H-isoindol-5-yl] N-(3-chloro-4-methylphenyl)-N-methylcarbamate
CID 166074313
3-[5-[(3-hydroxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170905195
tert-butyl 2-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]acetate
CID 178169099

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-tert-butyl-4-pyridinyl)-N-methylcarbamate?
The IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-tert-butyl-4-pyridinyl)-N-methylcarbamate (CID 169322774) is [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-tert-butyl-4-pyridinyl)-N-methylcarbamate.
What is the SMILES notation for [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-tert-butyl-4-pyridinyl)-N-methylcarbamate?
The canonical SMILES for [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-tert-butyl-4-pyridinyl)-N-methylcarbamate is CN(C(=O)Oc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)c1ccnc(C(C)(C)C)c1.
What is the InChIKey of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-tert-butyl-4-pyridinyl)-N-methylcarbamate?
The InChIKey is ZWIRJUOSYFEVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-24(2,3)19-11-15(9-10-25-19)27(4)23(32)33-16-6-5-14-13-28(22(31)17(14)12-16)18-7-8-20(29)26-21(18)30/h5-6,9-12,18H,7-8,13H2,1-4H3,(H,26,29,30).
What are the key properties of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-tert-butyl-4-pyridinyl)-N-methylcarbamate?
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-tert-butyl-4-pyridinyl)-N-methylcarbamate has a molecular weight of 450.50 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-tert-butyl-4-pyridinyl)-N-methylcarbamate is sourced from PubChem (CID 169322774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).