1-(2-hydroxyethyl)-3-[[1-oxo-2-(2-pyridin-2-ylethyl)-3H-isoindol-4-yl]amino]pyrrole-2,5-dione

C21H20N4O4 — CID 168557238

IUPAC1-(2-hydroxyethyl)-3-[[1-oxo-2-(2-pyridin-2-ylethyl)-3H-isoindol-4-yl]amino]pyrrole-2,5-dione
SMILESO=C1c2cccc(NC3=CC(=O)N(CCO)C3=O)c2CN1CCc1ccccn1
InChIInChI=1S/C21H20N4O4/c26-11-10-25-19(27)12-18(21(25)29)23-17-6-3-5-15-16(17)13-24(20(15)28)9-7-14-4-1-2-8-22-14/h1-6,8,12,23,26H,7,9-11,13H2
InChIKeyXBELLTJJNFDQED-UHFFFAOYSA-N
MW392.42 g/mol
LogP0.94
Rot. Bonds7

About 1-(2-hydroxyethyl)-3-[[1-oxo-2-(2-pyridin-2-ylethyl)-3H-isoindol-4-yl]amino]pyrrole-2,5-dione

1-(2-hydroxyethyl)-3-[[1-oxo-2-(2-pyridin-2-ylethyl)-3H-isoindol-4-yl]amino]pyrrole-2,5-dione (PubChem CID 168557238) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[[1-oxo-2-(2-pyridin-2-ylethyl)-3H-isoindol-4-yl]amino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[[1-oxo-2-(2-pyridin-2-ylethyl)-3H-isoindol-4-yl]amino]pyrrole-2,5-dione
PubChem CID168557238
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name1-(2-hydroxyethyl)-3-[[1-oxo-2-(2-pyridin-2-ylethyl)-3H-isoindol-4-yl]amino]pyrrole-2,5-dione
SMILESO=C1c2cccc(NC3=CC(=O)N(CCO)C3=O)c2CN1CCc1ccccn1
InChIInChI=1S/C21H20N4O4/c26-11-10-25-19(27)12-18(21(25)29)23-17-6-3-5-15-16(17)13-24(20(15)28)9-7-14-4-1-2-8-22-14/h1-6,8,12,23,26H,7,9-11,13H2
InChIKeyXBELLTJJNFDQED-UHFFFAOYSA-N
XLogP0.94
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[[1-oxo-2-(2-pyridin-2-ylethyl)-3H-isoindol-4-yl]amino]pyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-[[1-oxo-2-(2-pyridin-2-ylethyl)-3H-isoindol-4-yl]amino]pyrrole-2,5-dione (CID 168557238) is 1-(2-hydroxyethyl)-3-[[1-oxo-2-(2-pyridin-2-ylethyl)-3H-isoindol-4-yl]amino]pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[[1-oxo-2-(2-pyridin-2-ylethyl)-3H-isoindol-4-yl]amino]pyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[[1-oxo-2-(2-pyridin-2-ylethyl)-3H-isoindol-4-yl]amino]pyrrole-2,5-dione is O=C1c2cccc(NC3=CC(=O)N(CCO)C3=O)c2CN1CCc1ccccn1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[[1-oxo-2-(2-pyridin-2-ylethyl)-3H-isoindol-4-yl]amino]pyrrole-2,5-dione?
The InChIKey is XBELLTJJNFDQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c26-11-10-25-19(27)12-18(21(25)29)23-17-6-3-5-15-16(17)13-24(20(15)28)9-7-14-4-1-2-8-22-14/h1-6,8,12,23,26H,7,9-11,13H2.
What are the key properties of 1-(2-hydroxyethyl)-3-[[1-oxo-2-(2-pyridin-2-ylethyl)-3H-isoindol-4-yl]amino]pyrrole-2,5-dione?
1-(2-hydroxyethyl)-3-[[1-oxo-2-(2-pyridin-2-ylethyl)-3H-isoindol-4-yl]amino]pyrrole-2,5-dione has a molecular weight of 392.42 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[[1-oxo-2-(2-pyridin-2-ylethyl)-3H-isoindol-4-yl]amino]pyrrole-2,5-dione is sourced from PubChem (CID 168557238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).