5-(dimethylcarbamoyl)pyridine-2-carboxylic acid

C9H10N2O3 — CID 43414857

IUPAC5-(dimethylcarbamoyl)pyridine-2-carboxylic acid
SMILESCN(C)C(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C9H10N2O3/c1-11(2)8(12)6-3-4-7(9(13)14)10-5-6/h3-5H,1-2H3,(H,13,14)
InChIKeyTZDDNAQRPFCRKW-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.48
Rot. Bonds2

About 5-(dimethylcarbamoyl)pyridine-2-carboxylic acid

5-(dimethylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 43414857) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 5-(dimethylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(dimethylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID43414857
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name5-(dimethylcarbamoyl)pyridine-2-carboxylic acid
SMILESCN(C)C(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C9H10N2O3/c1-11(2)8(12)6-3-4-7(9(13)14)10-5-6/h3-5H,1-2H3,(H,13,14)
InChIKeyTZDDNAQRPFCRKW-UHFFFAOYSA-N
XLogP0.48
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(dimethylcarbamoyl)pyridine-2-carboxylic acid (CID 43414857) is 5-(dimethylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(dimethylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(dimethylcarbamoyl)pyridine-2-carboxylic acid is CN(C)C(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(dimethylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is TZDDNAQRPFCRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-11(2)8(12)6-3-4-7(9(13)14)10-5-6/h3-5H,1-2H3,(H,13,14).
What are the key properties of 5-(dimethylcarbamoyl)pyridine-2-carboxylic acid?
5-(dimethylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 43414857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).