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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Related Compounds

Methyl 3-[(5-chloro-6-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71996059
1-(((6-Methylpyridin-2-yl)amino)methyl)pyrrolidine-2,5-dione
CID 2804097
2-[3-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]-N-(6-methylpyridin-2-yl)acetamide
CID 49676314
2-[(5-chloro-6-cyano-2-pyridinyl)amino]-N,N-diethylacetamide
CID 72020288
(5S)-5-ethyl-5-methyl-3-[3-[(6-methyl-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione
CID 97839518
1-[(3R)-3-[[(5-chloro-6-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanone
CID 164641958
(2S,4R)-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
CID 118322514
N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
CID 118341320
2-amino-N-[5-chloro-6-(trifluoromethyl)pyridin-2-yl]acetamide
CID 146381849
(2S)-N-(5-fluoro-6-methyl-2-pyridinyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 156077089
1-[5-[2-[[5-Chloro-6-(trifluoromethyl)-2-pyridinyl]amino]ethyl-methylamino]pentan-2-yl]-3-[2-(dimethylamino)ethyl]urea
CID 164020261
N-(5-fluoro-6-methyl-2-pyridinyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 165157727

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).