1-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-2,5-dione

C11H13N3O2 — CID 1237548

IUPAC1-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(NCN2C(=O)CCC2=O)nc1
InChIInChI=1S/C11H13N3O2/c1-8-2-3-9(12-6-8)13-7-14-10(15)4-5-11(14)16/h2-3,6H,4-5,7H2,1H3,(H,12,13)
InChIKeyIKGKFSPEDSYHBJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.91
Rot. Bonds3

About 1-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-2,5-dione

1-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-2,5-dione (PubChem CID 1237548) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-2,5-dione
PubChem CID1237548
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(NCN2C(=O)CCC2=O)nc1
InChIInChI=1S/C11H13N3O2/c1-8-2-3-9(12-6-8)13-7-14-10(15)4-5-11(14)16/h2-3,6H,4-5,7H2,1H3,(H,12,13)
InChIKeyIKGKFSPEDSYHBJ-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
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-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-2,5-dione (CID 1237548) is 1-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-2,5-dione is Cc1ccc(NCN2C(=O)CCC2=O)nc1.
What is the InChIKey of 1-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-2,5-dione?
The InChIKey is IKGKFSPEDSYHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8-2-3-9(12-6-8)13-7-14-10(15)4-5-11(14)16/h2-3,6H,4-5,7H2,1H3,(H,12,13).
What are the key properties of 1-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-2,5-dione?
1-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-2,5-dione has a molecular weight of 219.24 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 1237548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).