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

C13H15N3O2 — CID 43636591

IUPAC1-cyclopropyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2ccncc2)C(=O)N1C1CC1
InChIInChI=1S/C13H15N3O2/c17-12-7-11(13(18)16(12)10-1-2-10)15-8-9-3-5-14-6-4-9/h3-6,10-11,15H,1-2,7-8H2
InChIKeyVPMQNEYSPUMAPL-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.46
Rot. Bonds4

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

1-cyclopropyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 43636591) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID43636591
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-cyclopropyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2ccncc2)C(=O)N1C1CC1
InChIInChI=1S/C13H15N3O2/c17-12-7-11(13(18)16(12)10-1-2-10)15-8-9-3-5-14-6-4-9/h3-6,10-11,15H,1-2,7-8H2
InChIKeyVPMQNEYSPUMAPL-UHFFFAOYSA-N
XLogP0.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.46
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-cyclopropyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopropyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione (CID 43636591) is 1-cyclopropyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopropyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopropyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione is O=C1CC(NCc2ccncc2)C(=O)N1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is VPMQNEYSPUMAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-12-7-11(13(18)16(12)10-1-2-10)15-8-9-3-5-14-6-4-9/h3-6,10-11,15H,1-2,7-8H2.
What are the key properties of 1-cyclopropyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
1-cyclopropyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 245.28 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43636591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).