1-(2-hydroxyethyl)-3-[2-(2-pyridin-2-ylethyl)anilino]pyrrole-2,5-dione

C19H19N3O3 — CID 168556445

IUPAC1-(2-hydroxyethyl)-3-[2-(2-pyridin-2-ylethyl)anilino]pyrrole-2,5-dione
SMILESO=C1C=C(Nc2ccccc2CCc2ccccn2)C(=O)N1CCO
InChIInChI=1S/C19H19N3O3/c23-12-11-22-18(24)13-17(19(22)25)21-16-7-2-1-5-14(16)8-9-15-6-3-4-10-20-15/h1-7,10,13,21,23H,8-9,11-12H2
InChIKeyXEEFQDKMJDEISH-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.52
Rot. Bonds7

About 1-(2-hydroxyethyl)-3-[2-(2-pyridin-2-ylethyl)anilino]pyrrole-2,5-dione

1-(2-hydroxyethyl)-3-[2-(2-pyridin-2-ylethyl)anilino]pyrrole-2,5-dione (PubChem CID 168556445) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[2-(2-pyridin-2-ylethyl)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[2-(2-pyridin-2-ylethyl)anilino]pyrrole-2,5-dione
PubChem CID168556445
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1-(2-hydroxyethyl)-3-[2-(2-pyridin-2-ylethyl)anilino]pyrrole-2,5-dione
SMILESO=C1C=C(Nc2ccccc2CCc2ccccn2)C(=O)N1CCO
InChIInChI=1S/C19H19N3O3/c23-12-11-22-18(24)13-17(19(22)25)21-16-7-2-1-5-14(16)8-9-15-6-3-4-10-20-15/h1-7,10,13,21,23H,8-9,11-12H2
InChIKeyXEEFQDKMJDEISH-UHFFFAOYSA-N
XLogP1.52
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethyl)-3-[[1-oxo-2-(2-pyridin-2-ylethyl)-3H-isoindol-4-yl]amino]pyrrole-2,5-dione
CID 168557238
3-[2-[(2-chlorophenyl)methylsulfanyl]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168560468
3-[2-(cyclohexylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559383
3-[2-(azepan-1-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559724
3-[2-(4,5-dimethyl-1,3-oxazol-2-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168558491
1-(2-hydroxyethyl)-3-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]anilino]pyrrole-2,5-dione
CID 168559429
1-(2-hydroxyethyl)-3-[(2-methylbenzotriazol-4-yl)amino]pyrrole-2,5-dione
CID 168556105
3-[(8-ethoxyquinolin-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168558560
4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylisoindole-1,3-dione
CID 168559358
1-(2-hydroxyethyl)-3-[(7-methylquinolin-8-yl)amino]pyrrole-2,5-dione
CID 168559140
3-(2,3-dihydro-1H-inden-4-ylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168556561
1-(2-hydroxyethyl)-3-[(2-pyridin-2-yl-1,3-benzoxazol-5-yl)amino]pyrrole-2,5-dione
CID 168560585

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[2-(2-pyridin-2-ylethyl)anilino]pyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-[2-(2-pyridin-2-ylethyl)anilino]pyrrole-2,5-dione (CID 168556445) is 1-(2-hydroxyethyl)-3-[2-(2-pyridin-2-ylethyl)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[2-(2-pyridin-2-ylethyl)anilino]pyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[2-(2-pyridin-2-ylethyl)anilino]pyrrole-2,5-dione is O=C1C=C(Nc2ccccc2CCc2ccccn2)C(=O)N1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[2-(2-pyridin-2-ylethyl)anilino]pyrrole-2,5-dione?
The InChIKey is XEEFQDKMJDEISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-12-11-22-18(24)13-17(19(22)25)21-16-7-2-1-5-14(16)8-9-15-6-3-4-10-20-15/h1-7,10,13,21,23H,8-9,11-12H2.
What are the key properties of 1-(2-hydroxyethyl)-3-[2-(2-pyridin-2-ylethyl)anilino]pyrrole-2,5-dione?
1-(2-hydroxyethyl)-3-[2-(2-pyridin-2-ylethyl)anilino]pyrrole-2,5-dione has a molecular weight of 337.38 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[2-(2-pyridin-2-ylethyl)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 168556445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).