N-(2-ethoxyphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

C22H19F3N2O3 — CID 26843723

IUPACN-(2-ethoxyphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C22H19F3N2O3/c1-2-30-19-8-4-3-7-18(19)26-20(28)17-6-5-13-27(21(17)29)14-15-9-11-16(12-10-15)22(23,24)25/h3-13H,2,14H2,1H3,(H,26,28)
InChIKeyWKSRGIQMZXMWAS-UHFFFAOYSA-N
MW416.40 g/mol
LogP4.57
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

N-(2-ethoxyphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 26843723) has the molecular formula C22H19F3N2O3 and a molecular weight of 416.40 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID26843723
Molecular FormulaC22H19F3N2O3
Molecular Weight416.40 g/mol
Exact Mass416.13
IUPAC NameN-(2-ethoxyphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C22H19F3N2O3/c1-2-30-19-8-4-3-7-18(19)26-20(28)17-6-5-13-27(21(17)29)14-15-9-11-16(12-10-15)22(23,24)25/h3-13H,2,14H2,1H3,(H,26,28)
InChIKeyWKSRGIQMZXMWAS-UHFFFAOYSA-N
XLogP4.57
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 7422772
N-(4-bromophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26843720
ethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 110382640
N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 22582914
1-[(4-bromophenyl)methyl]-N-(2-ethylphenyl)-2-oxopyridine-3-carboxamide
CID 26843761
N-(4-ethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382620
N-(2,4-dimethoxyphenyl)-1-[(4-ethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382645
1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide
CID 7598033
N-(2-ethoxyphenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080271
N-[2-(2-ethoxyanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112998798
N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 51049781
N-(2-ethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943045

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (CID 26843723) is N-(2-ethoxyphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is CCOc1ccccc1NC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O.
What is the InChIKey of N-(2-ethoxyphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is WKSRGIQMZXMWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O3/c1-2-30-19-8-4-3-7-18(19)26-20(28)17-6-5-13-27(21(17)29)14-15-9-11-16(12-10-15)22(23,24)25/h3-13H,2,14H2,1H3,(H,26,28).
What are the key properties of N-(2-ethoxyphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
N-(2-ethoxyphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 416.40 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 26843723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).