2-acetamido-N-[2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl]-6-methylpyridine-4-carboxamide

C18H17F4N3O4 — CID 137368022

IUPAC2-acetamido-N-[2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl]-6-methylpyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCCOc2ccc(OC(F)(F)F)c(F)c2)cc(C)n1
InChIInChI=1S/C18H17F4N3O4/c1-10-7-12(8-16(24-10)25-11(2)26)17(27)23-5-6-28-13-3-4-15(14(19)9-13)29-18(20,21)22/h3-4,7-9H,5-6H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyZCFXNKJNPSLFGG-UHFFFAOYSA-N
MW415.34 g/mol
LogP3.19
Rot. Bonds7

About 2-acetamido-N-[2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl]-6-methylpyridine-4-carboxamide

2-acetamido-N-[2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl]-6-methylpyridine-4-carboxamide (PubChem CID 137368022) has the molecular formula C18H17F4N3O4 and a molecular weight of 415.34 g/mol. Its IUPAC name is 2-acetamido-N-[2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl]-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl]-6-methylpyridine-4-carboxamide
PubChem CID137368022
Molecular FormulaC18H17F4N3O4
Molecular Weight415.34 g/mol
Exact Mass415.12
IUPAC Name2-acetamido-N-[2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl]-6-methylpyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCCOc2ccc(OC(F)(F)F)c(F)c2)cc(C)n1
InChIInChI=1S/C18H17F4N3O4/c1-10-7-12(8-16(24-10)25-11(2)26)17(27)23-5-6-28-13-3-4-15(14(19)9-13)29-18(20,21)22/h3-4,7-9H,5-6H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyZCFXNKJNPSLFGG-UHFFFAOYSA-N
XLogP3.19
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-6-methylpyridine-4-carboxamide
CID 142503790
N-[2-[4-chloro-3-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 142503824
2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methyl-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 67510320
2-acetamido-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide
CID 67509549
2-acetamido-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-6-methylpyridine-4-carboxamide
CID 67511302
2-methyl-6-(propanoylamino)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridine-4-carboxamide
CID 142503774
N-[2-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 142503885
2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl carbamate
CID 174991977
2-acetamido-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67510299
3-fluoro-4-methoxy-N-(2-naphthalen-2-yloxyethyl)benzamide
CID 26976673
2-acetamido-6-methyl-N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67511047
2-acetamido-N-[1-[5-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide
CID 87426722

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl]-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-acetamido-N-[2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl]-6-methylpyridine-4-carboxamide (CID 137368022) is 2-acetamido-N-[2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl]-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl]-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl]-6-methylpyridine-4-carboxamide is CC(=O)Nc1cc(C(=O)NCCOc2ccc(OC(F)(F)F)c(F)c2)cc(C)n1.
What is the InChIKey of 2-acetamido-N-[2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl]-6-methylpyridine-4-carboxamide?
The InChIKey is ZCFXNKJNPSLFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N3O4/c1-10-7-12(8-16(24-10)25-11(2)26)17(27)23-5-6-28-13-3-4-15(14(19)9-13)29-18(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-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl]-6-methylpyridine-4-carboxamide?
2-acetamido-N-[2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl]-6-methylpyridine-4-carboxamide has a molecular weight of 415.34 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 137368022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).