2-acetamido-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-6-methylpyridine-4-carboxamide

C18H17F4N3O3 — CID 142503790

IUPAC2-acetamido-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-6-methylpyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCCOc2ccc(C(F)(F)F)cc2F)cc(C)n1
InChIInChI=1S/C18H17F4N3O3/c1-10-7-12(8-16(24-10)25-11(2)26)17(27)23-5-6-28-15-4-3-13(9-14(15)19)18(20,21)22/h3-4,7-9H,5-6H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyDRUCURGWFYIJSL-UHFFFAOYSA-N
MW399.34 g/mol
LogP3.32
Rot. Bonds6

About 2-acetamido-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-6-methylpyridine-4-carboxamide

2-acetamido-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-6-methylpyridine-4-carboxamide (PubChem CID 142503790) has the molecular formula C18H17F4N3O3 and a molecular weight of 399.34 g/mol. Its IUPAC name is 2-acetamido-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-6-methylpyridine-4-carboxamide
PubChem CID142503790
Molecular FormulaC18H17F4N3O3
Molecular Weight399.34 g/mol
Exact Mass399.12
IUPAC Name2-acetamido-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-6-methylpyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCCOc2ccc(C(F)(F)F)cc2F)cc(C)n1
InChIInChI=1S/C18H17F4N3O3/c1-10-7-12(8-16(24-10)25-11(2)26)17(27)23-5-6-28-15-4-3-13(9-14(15)19)18(20,21)22/h3-4,7-9H,5-6H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyDRUCURGWFYIJSL-UHFFFAOYSA-N
XLogP3.32
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 53.32
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

2-acetamido-N-[2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl]-6-methylpyridine-4-carboxamide
CID 137368022
N-[2-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 142503885
2-acetamido-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide
CID 67509549
2-methyl-6-(propanoylamino)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridine-4-carboxamide
CID 142503774
2-(cyclopropanecarbonylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide;N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 155408184
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 67511343
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510089
2-acetamido-N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]-6-methylpyridine-4-carboxamide
CID 142503861
2-acetamido-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-6-methylpyridine-4-carboxamide
CID 67511302
2-(2-methylpropanoylamino)-N-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide
CID 142503801
4-tert-butyl-N-[2-(2,4-difluorophenoxy)ethyl]benzamide
CID 113102340
2-acetamido-6-methyl-N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67511047

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-acetamido-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-6-methylpyridine-4-carboxamide (CID 142503790) is 2-acetamido-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-6-methylpyridine-4-carboxamide is CC(=O)Nc1cc(C(=O)NCCOc2ccc(C(F)(F)F)cc2F)cc(C)n1.
What is the InChIKey of 2-acetamido-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-6-methylpyridine-4-carboxamide?
The InChIKey is DRUCURGWFYIJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N3O3/c1-10-7-12(8-16(24-10)25-11(2)26)17(27)23-5-6-28-15-4-3-13(9-14(15)19)18(20,21)22/h3-4,7-9H,5-6H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-acetamido-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-6-methylpyridine-4-carboxamide?
2-acetamido-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-6-methylpyridine-4-carboxamide has a molecular weight of 399.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 142503790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).