1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione

C11H12ClN3O2 — CID 55127356

IUPAC1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione
SMILESCNc1ccc(Cl)c(CN2C(=O)CCC2=O)n1
InChIInChI=1S/C11H12ClN3O2/c1-13-9-3-2-7(12)8(14-9)6-15-10(16)4-5-11(15)17/h2-3H,4-6H2,1H3,(H,13,14)
InChIKeyDADFOJSFJNOPNU-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.43
Rot. Bonds3

About 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione

1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione (PubChem CID 55127356) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione
PubChem CID55127356
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione
SMILESCNc1ccc(Cl)c(CN2C(=O)CCC2=O)n1
InChIInChI=1S/C11H12ClN3O2/c1-13-9-3-2-7(12)8(14-9)6-15-10(16)4-5-11(15)17/h2-3H,4-6H2,1H3,(H,13,14)
InChIKeyDADFOJSFJNOPNU-UHFFFAOYSA-N
XLogP1.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.43
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-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione (CID 55127356) is 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione is CNc1ccc(Cl)c(CN2C(=O)CCC2=O)n1.
What is the InChIKey of 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is DADFOJSFJNOPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-13-9-3-2-7(12)8(14-9)6-15-10(16)4-5-11(15)17/h2-3H,4-6H2,1H3,(H,13,14).
What are the key properties of 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione?
1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 253.69 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 55127356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).