N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C18H15F6N3O2 — CID 43072127

IUPACN-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCN(Cc1cccc(NC(=O)c2ccc(C(F)(F)F)nc2)c1)C(=O)C(F)(F)F
InChIInChI=1S/C18H15F6N3O2/c1-2-27(16(29)18(22,23)24)10-11-4-3-5-13(8-11)26-15(28)12-6-7-14(25-9-12)17(19,20)21/h3-9H,2,10H2,1H3,(H,26,28)
InChIKeyVXFATMOLVHWGIT-UHFFFAOYSA-N
MW419.33 g/mol
LogP4.26
Rot. Bonds5

About N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 43072127) has the molecular formula C18H15F6N3O2 and a molecular weight of 419.33 g/mol. Its IUPAC name is N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID43072127
Molecular FormulaC18H15F6N3O2
Molecular Weight419.33 g/mol
Exact Mass419.11
IUPAC NameN-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCN(Cc1cccc(NC(=O)c2ccc(C(F)(F)F)nc2)c1)C(=O)C(F)(F)F
InChIInChI=1S/C18H15F6N3O2/c1-2-27(16(29)18(22,23)24)10-11-4-3-5-13(8-11)26-15(28)12-6-7-14(25-9-12)17(19,20)21/h3-9H,2,10H2,1H3,(H,26,28)
InChIKeyVXFATMOLVHWGIT-UHFFFAOYSA-N
XLogP4.26
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.33
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide
CID 43068696
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 51121198
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-5-nitrothiophene-3-carboxamide
CID 47047150
N-(3-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 24685793
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)benzamide
CID 46440370
3-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4,5-dimethoxybenzamide
CID 43068667
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-nitrobenzamide
CID 43068636
5-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86890270
2-butyl-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 55643230
N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33163993
(2S)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-methylsulfanylpropanamide
CID 94809125
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-fluoro-4-methoxybenzamide
CID 55671374

Frequently Asked Questions

What is the IUPAC name of N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 43072127) is N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is CCN(Cc1cccc(NC(=O)c2ccc(C(F)(F)F)nc2)c1)C(=O)C(F)(F)F.
What is the InChIKey of N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is VXFATMOLVHWGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6N3O2/c1-2-27(16(29)18(22,23)24)10-11-4-3-5-13(8-11)26-15(28)12-6-7-14(25-9-12)17(19,20)21/h3-9H,2,10H2,1H3,(H,26,28).
What are the key properties of N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 419.33 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 43072127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).