6-(ethylcarbamoyl)-2-oxo-1H-pyridine-3-carboxylic acid

C9H10N2O4 — CID 13216296

IUPAC6-(ethylcarbamoyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCNC(=O)c1ccc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C9H10N2O4/c1-2-10-8(13)6-4-3-5(9(14)15)7(12)11-6/h3-4H,2H2,1H3,(H,10,13)(H,11,12)(H,14,15)
InChIKeyRJUAXBHPVIYIFU-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.18
Rot. Bonds3

About 6-(ethylcarbamoyl)-2-oxo-1H-pyridine-3-carboxylic acid

6-(ethylcarbamoyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 13216296) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 6-(ethylcarbamoyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(ethylcarbamoyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID13216296
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name6-(ethylcarbamoyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCNC(=O)c1ccc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C9H10N2O4/c1-2-10-8(13)6-4-3-5(9(14)15)7(12)11-6/h3-4H,2H2,1H3,(H,10,13)(H,11,12)(H,14,15)
InChIKeyRJUAXBHPVIYIFU-UHFFFAOYSA-N
XLogP-0.18
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylcarbamoyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-(ethylcarbamoyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 13216296) is 6-(ethylcarbamoyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(ethylcarbamoyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-(ethylcarbamoyl)-2-oxo-1H-pyridine-3-carboxylic acid is CCNC(=O)c1ccc(C(=O)O)c(=O)[nH]1.
What is the InChIKey of 6-(ethylcarbamoyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is RJUAXBHPVIYIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-2-10-8(13)6-4-3-5(9(14)15)7(12)11-6/h3-4H,2H2,1H3,(H,10,13)(H,11,12)(H,14,15).
What are the key properties of 6-(ethylcarbamoyl)-2-oxo-1H-pyridine-3-carboxylic acid?
6-(ethylcarbamoyl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylcarbamoyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 13216296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).