5-[4-(2-methoxyethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C16H15F3N2O4 — CID 166486899

IUPAC5-[4-(2-methoxyethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOCCOc1ccc(-c2cc(C(N)=O)c(=O)[nH]c2C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O4/c1-24-6-7-25-10-4-2-9(3-5-10)11-8-12(14(20)22)15(23)21-13(11)16(17,18)19/h2-5,8H,6-7H2,1H3,(H2,20,22)(H,21,23)
InChIKeyXRLGVWZRQNNZJU-UHFFFAOYSA-N
MW356.30 g/mol
LogP2.18
Rot. Bonds6

About 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

5-[4-(2-methoxyethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 166486899) has the molecular formula C16H15F3N2O4 and a molecular weight of 356.30 g/mol. Its IUPAC name is 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(2-methoxyethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID166486899
Molecular FormulaC16H15F3N2O4
Molecular Weight356.30 g/mol
Exact Mass356.10
IUPAC Name5-[4-(2-methoxyethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOCCOc1ccc(-c2cc(C(N)=O)c(=O)[nH]c2C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O4/c1-24-6-7-25-10-4-2-9(3-5-10)11-8-12(14(20)22)15(23)21-13(11)16(17,18)19/h2-5,8H,6-7H2,1H3,(H2,20,22)(H,21,23)
InChIKeyXRLGVWZRQNNZJU-UHFFFAOYSA-N
XLogP2.18
TPSA94.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[(4-methoxy-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487120
5-[4-[(6-methylpyrazin-2-yl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487335
2-oxo-5-[4-(thiophen-3-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166486981
2-oxo-6-(trifluoromethyl)-5-[4-[(2,4,5-trimethylpyrazol-3-yl)methoxy]phenyl]-1H-pyridine-3-carboxamide
CID 166487064
5-[4-[[(2S)-6,6-bis(methoxymethyl)-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487225
5-[4-(oxan-4-ylmethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487366
5-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487006
5-[4-[(4-chloro-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487502
2-oxo-5-[4-(pyridin-3-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487400
5-[4-[[(2S,6S)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166486804
tert-butyl 6-[[4-[5-carbamoyl-6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]phenoxy]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 166487209
5-[4-[[(1S,3S,6R)-7,7-difluoro-1-methyl-2,5-dioxabicyclo[4.1.0]heptan-3-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166486947

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 166486899) is 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is COCCOc1ccc(-c2cc(C(N)=O)c(=O)[nH]c2C(F)(F)F)cc1.
What is the InChIKey of 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is XRLGVWZRQNNZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4/c1-24-6-7-25-10-4-2-9(3-5-10)11-8-12(14(20)22)15(23)21-13(11)16(17,18)19/h2-5,8H,6-7H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
5-[4-(2-methoxyethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 356.30 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 166486899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).