1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione

C16H15N3O2 — CID 2877164

IUPAC1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2ccncc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H15N3O2/c20-15-10-14(18-11-12-6-8-17-9-7-12)16(21)19(15)13-4-2-1-3-5-13/h1-9,14,18H,10-11H2
InChIKeyVLEUTQWKOOZXOW-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.50
Rot. Bonds4

About 1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione

1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 2877164) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID2877164
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2ccncc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H15N3O2/c20-15-10-14(18-11-12-6-8-17-9-7-12)16(21)19(15)13-4-2-1-3-5-13/h1-9,14,18H,10-11H2
InChIKeyVLEUTQWKOOZXOW-UHFFFAOYSA-N
XLogP1.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione (CID 2877164) is 1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione is O=C1CC(NCc2ccncc2)C(=O)N1c1ccccc1.
What is the InChIKey of 1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is VLEUTQWKOOZXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-15-10-14(18-11-12-6-8-17-9-7-12)16(21)19(15)13-4-2-1-3-5-13/h1-9,14,18H,10-11H2.
What are the key properties of 1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 281.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2877164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).