1-[2-(diethylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid

C12H16N2O4 — CID 28534963

IUPAC1-[2-(diethylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
SMILESCCN(CC)C(=O)Cn1cc(C(=O)O)ccc1=O
InChIInChI=1S/C12H16N2O4/c1-3-13(4-2)11(16)8-14-7-9(12(17)18)5-6-10(14)15/h5-7H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyIKLCADINGUYEDX-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.41
Rot. Bonds5

About 1-[2-(diethylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid

1-[2-(diethylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 28534963) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
PubChem CID28534963
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name1-[2-(diethylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
SMILESCCN(CC)C(=O)Cn1cc(C(=O)O)ccc1=O
InChIInChI=1S/C12H16N2O4/c1-3-13(4-2)11(16)8-14-7-9(12(17)18)5-6-10(14)15/h5-7H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyIKLCADINGUYEDX-UHFFFAOYSA-N
XLogP0.41
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(diethylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid (CID 28534963) is 1-[2-(diethylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(diethylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-(diethylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid is CCN(CC)C(=O)Cn1cc(C(=O)O)ccc1=O.
What is the InChIKey of 1-[2-(diethylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is IKLCADINGUYEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-13(4-2)11(16)8-14-7-9(12(17)18)5-6-10(14)15/h5-7H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-(diethylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
1-[2-(diethylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 28534963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).