6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid

C16H13F3N2O3 — CID 139213284

IUPAC6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
SMILESCCNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C(=O)O)n1
InChIInChI=1S/C16H13F3N2O3/c1-2-20-14(22)12-7-10(8-13(21-12)15(23)24)9-3-5-11(6-4-9)16(17,18)19/h3-8H,2H2,1H3,(H,20,22)(H,23,24)
InChIKeyWPPBQVYEXUMHJP-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.22
Rot. Bonds4

About 6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid

6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid (PubChem CID 139213284) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is 6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
PubChem CID139213284
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC Name6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
SMILESCCNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C(=O)O)n1
InChIInChI=1S/C16H13F3N2O3/c1-2-20-14(22)12-7-10(8-13(21-12)15(23)24)9-3-5-11(6-4-9)16(17,18)19/h3-8H,2H2,1H3,(H,20,22)(H,23,24)
InChIKeyWPPBQVYEXUMHJP-UHFFFAOYSA-N
XLogP3.22
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3S)-3-[[4-hydroxy-4-(6-methylpyridin-2-yl)cyclohexyl]amino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 11466237
4-Phenylpyridine-2,6-dicarboxylic acid
CID 12843432
4-N-cyclopropyl-6-[hydroxy(phenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 132185846
6-(Methylcarbamoyl)pyridine-2-carboxylic acid
CID 43558273
6-((1-((R)-1-carboxy-2-phenylethylamino)-4-mercapto-1-oxobutan-2-yl)carbamoyl)picolinic acid
CID 44416876
6-((1-((R)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-4-mercapto-1-oxobutan-2-yl)carbamoyl)picolinic acid
CID 44417193
4-(4-Aminophenyl)pyridine-2,6-dicarboxylic acid
CID 102499911
4-(4-(Dimethylamino)phenyl)pyridine-2,6-dicarboxylic acid
CID 102499912
4-(3-Aminophenyl)pyridine-2,6-dicarboxylic acid
CID 137631612
4-(3-Benzamidophenyl)pyridine-2,6-dicarboxylic acid
CID 137639074
4-(3-(2-Phenylacetamido)phenyl)pyridine-2,6-dicarboxylic acid
CID 137658451
4-(3-Acetamidophenyl)pyridine-2,6-dicarboxylic acid
CID 137660166

Frequently Asked Questions

What is the IUPAC name of 6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid (CID 139213284) is 6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid is CCNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C(=O)O)n1.
What is the InChIKey of 6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The InChIKey is WPPBQVYEXUMHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c1-2-20-14(22)12-7-10(8-13(21-12)15(23)24)9-3-5-11(6-4-9)16(17,18)19/h3-8H,2H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid has a molecular weight of 338.29 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 139213284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).