1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione

C11H13N3O2 — CID 79231809

IUPAC1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione
SMILESCNc1cccc(CN2C(=O)CCC2=O)n1
InChIInChI=1S/C11H13N3O2/c1-12-9-4-2-3-8(13-9)7-14-10(15)5-6-11(14)16/h2-4H,5-7H2,1H3,(H,12,13)
InChIKeyUAUMXJURJVZAHH-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.77
Rot. Bonds3

About 1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione

1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione (PubChem CID 79231809) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione
PubChem CID79231809
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione
SMILESCNc1cccc(CN2C(=O)CCC2=O)n1
InChIInChI=1S/C11H13N3O2/c1-12-9-4-2-3-8(13-9)7-14-10(15)5-6-11(14)16/h2-4H,5-7H2,1H3,(H,12,13)
InChIKeyUAUMXJURJVZAHH-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
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-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione (CID 79231809) is 1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione is CNc1cccc(CN2C(=O)CCC2=O)n1.
What is the InChIKey of 1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is UAUMXJURJVZAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-12-9-4-2-3-8(13-9)7-14-10(15)5-6-11(14)16/h2-4H,5-7H2,1H3,(H,12,13).
What are the key properties of 1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione?
1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 219.24 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 79231809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).