6-(diethylcarbamoyl)pyridine-3-carboxylic acid

C11H14N2O3 — CID 43427227

IUPAC6-(diethylcarbamoyl)pyridine-3-carboxylic acid
SMILESCCN(CC)C(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C11H14N2O3/c1-3-13(4-2)10(14)9-6-5-8(7-12-9)11(15)16/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyXTPOJELXURUPRE-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.26
Rot. Bonds4

About 6-(diethylcarbamoyl)pyridine-3-carboxylic acid

6-(diethylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 43427227) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 6-(diethylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(diethylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID43427227
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name6-(diethylcarbamoyl)pyridine-3-carboxylic acid
SMILESCCN(CC)C(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C11H14N2O3/c1-3-13(4-2)10(14)9-6-5-8(7-12-9)11(15)16/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyXTPOJELXURUPRE-UHFFFAOYSA-N
XLogP1.26
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-cyanopropyl(ethyl)carbamoyl]pyridine-3-carboxylic acid
CID 54979268
6-[bis(prop-2-enyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427357
N,N-diethyl-5-hydroxypyridine-2-carboxamide
CID 67234300
6-[tert-butyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 115116607
6-[methyl(pentyl)carbamoyl]pyridine-3-carboxylic acid
CID 43452990
pyridine-2,5-dicarboxylic acid
CID 158970171
6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 62004228
6-acetylpyridine-3-carboxylic acid
CID 22323784
N,N-diethyl-5-hydrazinylpyridine-2-carboxamide
CID 104642323
6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427191
5-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 115588687
6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid
CID 62634866

Frequently Asked Questions

What is the IUPAC name of 6-(diethylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(diethylcarbamoyl)pyridine-3-carboxylic acid (CID 43427227) is 6-(diethylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(diethylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(diethylcarbamoyl)pyridine-3-carboxylic acid is CCN(CC)C(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(diethylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is XTPOJELXURUPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-3-13(4-2)10(14)9-6-5-8(7-12-9)11(15)16/h5-7H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 6-(diethylcarbamoyl)pyridine-3-carboxylic acid?
6-(diethylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 43427227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).