6-(2-methoxyethoxy)-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid

C17H15F3N2O6 — CID 174744009

IUPAC6-(2-methoxyethoxy)-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid
SMILESCOCCOc1ncc(C(=O)O)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H15F3N2O6/c1-26-6-7-27-15-13(8-10(9-21-15)16(24)25)14(23)22-11-2-4-12(5-3-11)28-17(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,22,23)(H,24,25)
InChIKeyYHWCUNXWHPVVAE-UHFFFAOYSA-N
MW400.31 g/mol
LogP2.96
Rot. Bonds8

About 6-(2-methoxyethoxy)-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid

6-(2-methoxyethoxy)-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid (PubChem CID 174744009) has the molecular formula C17H15F3N2O6 and a molecular weight of 400.31 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid
PubChem CID174744009
Molecular FormulaC17H15F3N2O6
Molecular Weight400.31 g/mol
Exact Mass400.09
IUPAC Name6-(2-methoxyethoxy)-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid
SMILESCOCCOc1ncc(C(=O)O)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H15F3N2O6/c1-26-6-7-27-15-13(8-10(9-21-15)16(24)25)14(23)22-11-2-4-12(5-3-11)28-17(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,22,23)(H,24,25)
InChIKeyYHWCUNXWHPVVAE-UHFFFAOYSA-N
XLogP2.96
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[2-hydroxyethyl(methyl)amino]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid
CID 174819261
2,5-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 8621705
2-(3-methoxyanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632895
3-methoxy-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 16809642
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730
3-N-prop-2-ynyl-2-pyrrolidin-1-yl-5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-dicarboxamide
CID 123605560
3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 23633123
2-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62060327
N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
CID 160971562
2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 24641310
N-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 37350824

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-methoxyethoxy)-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid (CID 174744009) is 6-(2-methoxyethoxy)-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-methoxyethoxy)-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-methoxyethoxy)-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid is COCCOc1ncc(C(=O)O)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-(2-methoxyethoxy)-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is YHWCUNXWHPVVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O6/c1-26-6-7-27-15-13(8-10(9-21-15)16(24)25)14(23)22-11-2-4-12(5-3-11)28-17(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 6-(2-methoxyethoxy)-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid?
6-(2-methoxyethoxy)-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 400.31 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 174744009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).