2,4-dimethyl-6-oxo-1-(5-oxopyrrolidin-3-yl)pyridine-3-carboxylic acid

C12H14N2O4 — CID 106188918

IUPAC2,4-dimethyl-6-oxo-1-(5-oxopyrrolidin-3-yl)pyridine-3-carboxylic acid
SMILESCc1cc(=O)n(C2CNC(=O)C2)c(C)c1C(=O)O
InChIInChI=1S/C12H14N2O4/c1-6-3-10(16)14(7(2)11(6)12(17)18)8-4-9(15)13-5-8/h3,8H,4-5H2,1-2H3,(H,13,15)(H,17,18)
InChIKeyQJKDBYBCPWTZBF-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.22
Rot. Bonds2

About 2,4-dimethyl-6-oxo-1-(5-oxopyrrolidin-3-yl)pyridine-3-carboxylic acid

2,4-dimethyl-6-oxo-1-(5-oxopyrrolidin-3-yl)pyridine-3-carboxylic acid (PubChem CID 106188918) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-1-(5-oxopyrrolidin-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-1-(5-oxopyrrolidin-3-yl)pyridine-3-carboxylic acid
PubChem CID106188918
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2,4-dimethyl-6-oxo-1-(5-oxopyrrolidin-3-yl)pyridine-3-carboxylic acid
SMILESCc1cc(=O)n(C2CNC(=O)C2)c(C)c1C(=O)O
InChIInChI=1S/C12H14N2O4/c1-6-3-10(16)14(7(2)11(6)12(17)18)8-4-9(15)13-5-8/h3,8H,4-5H2,1-2H3,(H,13,15)(H,17,18)
InChIKeyQJKDBYBCPWTZBF-UHFFFAOYSA-N
XLogP0.22
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-1-(5-oxopyrrolidin-3-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2,4-dimethyl-6-oxo-1-(5-oxopyrrolidin-3-yl)pyridine-3-carboxylic acid (CID 106188918) is 2,4-dimethyl-6-oxo-1-(5-oxopyrrolidin-3-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-6-oxo-1-(5-oxopyrrolidin-3-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-6-oxo-1-(5-oxopyrrolidin-3-yl)pyridine-3-carboxylic acid is Cc1cc(=O)n(C2CNC(=O)C2)c(C)c1C(=O)O.
What is the InChIKey of 2,4-dimethyl-6-oxo-1-(5-oxopyrrolidin-3-yl)pyridine-3-carboxylic acid?
The InChIKey is QJKDBYBCPWTZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-6-3-10(16)14(7(2)11(6)12(17)18)8-4-9(15)13-5-8/h3,8H,4-5H2,1-2H3,(H,13,15)(H,17,18).
What are the key properties of 2,4-dimethyl-6-oxo-1-(5-oxopyrrolidin-3-yl)pyridine-3-carboxylic acid?
2,4-dimethyl-6-oxo-1-(5-oxopyrrolidin-3-yl)pyridine-3-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-1-(5-oxopyrrolidin-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 106188918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).