1-[2-(dimethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid

C10H12N2O4 — CID 18179613

IUPAC1-[2-(dimethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
SMILESCN(C)C(=O)Cn1ccc(C(=O)O)cc1=O
InChIInChI=1S/C10H12N2O4/c1-11(2)9(14)6-12-4-3-7(10(15)16)5-8(12)13/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyWFUXCJDXFUPABD-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.37
Rot. Bonds3

About 1-[2-(dimethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid

1-[2-(dimethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid (PubChem CID 18179613) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
PubChem CID18179613
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name1-[2-(dimethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
SMILESCN(C)C(=O)Cn1ccc(C(=O)O)cc1=O
InChIInChI=1S/C10H12N2O4/c1-11(2)9(14)6-12-4-3-7(10(15)16)5-8(12)13/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyWFUXCJDXFUPABD-UHFFFAOYSA-N
XLogP-0.37
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 819923
1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 37134599
2-Oxo-1-(propan-2-yl)-1,2-dihydropyridine-4-carboxylic acid
CID 44600733
2H-pyridine-1,4-dicarboxylic acid
CID 22056460
1-(3-Fluoropropyl)-1,2-dihydro-2-oxo-4-pyridinecarboxylic acid
CID 44600577
1-(2-Fluoroethyl)-2-oxopyridine-4-carboxylic acid
CID 44600737
1-Ethyl-3-fluoro-2-oxopyridine-4-carboxylic acid
CID 90720834
2-Oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-4-carboxylic acid
CID 82901814
2-Oxo-1-(2-oxobutyl)pyridine-4-carboxylic acid
CID 18179614
1-(2-Morpholin-4-yl-2-oxoethyl)-2-oxopyridine-4-carboxylic acid
CID 18179615
1-methyl-2H-pyridine-4-carboxylic acid;2-(trimethylazaniumyl)acetate
CID 18521153
1-ethyl-2H-pyridine-4-carboxylic acid
CID 20378410

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid (CID 18179613) is 1-[2-(dimethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid is CN(C)C(=O)Cn1ccc(C(=O)O)cc1=O.
What is the InChIKey of 1-[2-(dimethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid?
The InChIKey is WFUXCJDXFUPABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-11(2)9(14)6-12-4-3-7(10(15)16)5-8(12)13/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of 1-[2-(dimethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid?
1-[2-(dimethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 18179613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).