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

C11H13N3O2 — CID 43635991

IUPAC1-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCc2ccncc2)C1=O
InChIInChI=1S/C11H13N3O2/c1-14-10(15)6-9(11(14)16)13-7-8-2-4-12-5-3-8/h2-5,9,13H,6-7H2,1H3
InChIKeyZFCZVOXGGIHOPO-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.07
Rot. Bonds3

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

1-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 43635991) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID43635991
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCc2ccncc2)C1=O
InChIInChI=1S/C11H13N3O2/c1-14-10(15)6-9(11(14)16)13-7-8-2-4-12-5-3-8/h2-5,9,13H,6-7H2,1H3
InChIKeyZFCZVOXGGIHOPO-UHFFFAOYSA-N
XLogP-0.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.07
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-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione (CID 43635991) is 1-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione is CN1C(=O)CC(NCc2ccncc2)C1=O.
What is the InChIKey of 1-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is ZFCZVOXGGIHOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-14-10(15)6-9(11(14)16)13-7-8-2-4-12-5-3-8/h2-5,9,13H,6-7H2,1H3.
What are the key properties of 1-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
1-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 219.24 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43635991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).