3-morpholin-4-yl-4-phenyl-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione

C20H19N3O3 — CID 110559143

IUPAC3-morpholin-4-yl-4-phenyl-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(N2CCOCC2)C(=O)N1Cc1ccccn1
InChIInChI=1S/C20H19N3O3/c24-19-17(15-6-2-1-3-7-15)18(22-10-12-26-13-11-22)20(25)23(19)14-16-8-4-5-9-21-16/h1-9H,10-14H2
InChIKeyHGBXJPRESAXDMU-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.69
Rot. Bonds4

About 3-morpholin-4-yl-4-phenyl-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione

3-morpholin-4-yl-4-phenyl-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione (PubChem CID 110559143) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-morpholin-4-yl-4-phenyl-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-morpholin-4-yl-4-phenyl-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
PubChem CID110559143
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name3-morpholin-4-yl-4-phenyl-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(N2CCOCC2)C(=O)N1Cc1ccccn1
InChIInChI=1S/C20H19N3O3/c24-19-17(15-6-2-1-3-7-15)18(22-10-12-26-13-11-22)20(25)23(19)14-16-8-4-5-9-21-16/h1-9H,10-14H2
InChIKeyHGBXJPRESAXDMU-UHFFFAOYSA-N
XLogP1.69
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-4-phenyl-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione?
The IUPAC name of 3-morpholin-4-yl-4-phenyl-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione (CID 110559143) is 3-morpholin-4-yl-4-phenyl-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-morpholin-4-yl-4-phenyl-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-morpholin-4-yl-4-phenyl-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione is O=C1C(c2ccccc2)=C(N2CCOCC2)C(=O)N1Cc1ccccn1.
What is the InChIKey of 3-morpholin-4-yl-4-phenyl-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione?
The InChIKey is HGBXJPRESAXDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-19-17(15-6-2-1-3-7-15)18(22-10-12-26-13-11-22)20(25)23(19)14-16-8-4-5-9-21-16/h1-9H,10-14H2.
What are the key properties of 3-morpholin-4-yl-4-phenyl-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione?
3-morpholin-4-yl-4-phenyl-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione has a molecular weight of 349.39 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-4-phenyl-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110559143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).