[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(6-pyrrolidin-1-yl-3-pyridinyl)carbamate

C24H25N5O5 — CID 164583899

IUPAC[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(6-pyrrolidin-1-yl-3-pyridinyl)carbamate
SMILESO=C1CCC(N2Cc3ccc(COC(=O)Nc4ccc(N5CCCC5)nc4)cc3C2=O)C(=O)N1
InChIInChI=1S/C24H25N5O5/c30-21-8-6-19(22(31)27-21)29-13-16-4-3-15(11-18(16)23(29)32)14-34-24(33)26-17-5-7-20(25-12-17)28-9-1-2-10-28/h3-5,7,11-12,19H,1-2,6,8-10,13-14H2,(H,26,33)(H,27,30,31)
InChIKeyBOJQBAUIJGRXPP-UHFFFAOYSA-N
MW463.49 g/mol
LogP2.19
Rot. Bonds5

About [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(6-pyrrolidin-1-yl-3-pyridinyl)carbamate

[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(6-pyrrolidin-1-yl-3-pyridinyl)carbamate (PubChem CID 164583899) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(6-pyrrolidin-1-yl-3-pyridinyl)carbamate.

Molecular Properties

Compound Name[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(6-pyrrolidin-1-yl-3-pyridinyl)carbamate
PubChem CID164583899
Molecular FormulaC24H25N5O5
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC Name[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(6-pyrrolidin-1-yl-3-pyridinyl)carbamate
SMILESO=C1CCC(N2Cc3ccc(COC(=O)Nc4ccc(N5CCCC5)nc4)cc3C2=O)C(=O)N1
InChIInChI=1S/C24H25N5O5/c30-21-8-6-19(22(31)27-21)29-13-16-4-3-15(11-18(16)23(29)32)14-34-24(33)26-17-5-7-20(25-12-17)28-9-1-2-10-28/h3-5,7,11-12,19H,1-2,6,8-10,13-14H2,(H,26,33)(H,27,30,31)
InChIKeyBOJQBAUIJGRXPP-UHFFFAOYSA-N
XLogP2.19
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(6-pyrrolidin-1-yl-3-pyridinyl)carbamate?
The IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(6-pyrrolidin-1-yl-3-pyridinyl)carbamate (CID 164583899) is [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(6-pyrrolidin-1-yl-3-pyridinyl)carbamate.
What is the SMILES notation for [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(6-pyrrolidin-1-yl-3-pyridinyl)carbamate?
The canonical SMILES for [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(6-pyrrolidin-1-yl-3-pyridinyl)carbamate is O=C1CCC(N2Cc3ccc(COC(=O)Nc4ccc(N5CCCC5)nc4)cc3C2=O)C(=O)N1.
What is the InChIKey of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(6-pyrrolidin-1-yl-3-pyridinyl)carbamate?
The InChIKey is BOJQBAUIJGRXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5/c30-21-8-6-19(22(31)27-21)29-13-16-4-3-15(11-18(16)23(29)32)14-34-24(33)26-17-5-7-20(25-12-17)28-9-1-2-10-28/h3-5,7,11-12,19H,1-2,6,8-10,13-14H2,(H,26,33)(H,27,30,31).
What are the key properties of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(6-pyrrolidin-1-yl-3-pyridinyl)carbamate?
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(6-pyrrolidin-1-yl-3-pyridinyl)carbamate has a molecular weight of 463.49 g/mol, XLogP of 2.19, 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)-3-oxo-1H-isoindol-5-yl]methyl N-(6-pyrrolidin-1-yl-3-pyridinyl)carbamate is sourced from PubChem (CID 164583899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).