3-[(6-methyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione

C11H13N3O2 — CID 62323725

IUPAC3-[(6-methyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione
SMILESCc1cccc(CNC2CC(=O)NC2=O)n1
InChIInChI=1S/C11H13N3O2/c1-7-3-2-4-8(13-7)6-12-9-5-10(15)14-11(9)16/h2-4,9,12H,5-6H2,1H3,(H,14,15,16)
InChIKeyWFZYKKYEWDISAV-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.11
Rot. Bonds3

About 3-[(6-methyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione

3-[(6-methyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione (PubChem CID 62323725) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-[(6-methyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(6-methyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione
PubChem CID62323725
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-[(6-methyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione
SMILESCc1cccc(CNC2CC(=O)NC2=O)n1
InChIInChI=1S/C11H13N3O2/c1-7-3-2-4-8(13-7)6-12-9-5-10(15)14-11(9)16/h2-4,9,12H,5-6H2,1H3,(H,14,15,16)
InChIKeyWFZYKKYEWDISAV-UHFFFAOYSA-N
XLogP-0.11
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
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 3-[(6-methyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(6-methyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione (CID 62323725) is 3-[(6-methyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(6-methyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(6-methyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione is Cc1cccc(CNC2CC(=O)NC2=O)n1.
What is the InChIKey of 3-[(6-methyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione?
The InChIKey is WFZYKKYEWDISAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7-3-2-4-8(13-7)6-12-9-5-10(15)14-11(9)16/h2-4,9,12H,5-6H2,1H3,(H,14,15,16).
What are the key properties of 3-[(6-methyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione?
3-[(6-methyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione has a molecular weight of 219.24 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 62323725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).