N-(4-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

C22H17F3N2O3 — CID 8697276

IUPACN-(4-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C22H17F3N2O3/c1-14(28)16-5-8-19(9-6-16)26-21(30)17-7-10-20(29)27(13-17)12-15-3-2-4-18(11-15)22(23,24)25/h2-11,13H,12H2,1H3,(H,26,30)
InChIKeyXTVAMKUKXZJQOH-UHFFFAOYSA-N
MW414.38 g/mol
LogP4.37
Rot. Bonds5

About N-(4-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

N-(4-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 8697276) has the molecular formula C22H17F3N2O3 and a molecular weight of 414.38 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID8697276
Molecular FormulaC22H17F3N2O3
Molecular Weight414.38 g/mol
Exact Mass414.12
IUPAC NameN-(4-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C22H17F3N2O3/c1-14(28)16-5-8-19(9-6-16)26-21(30)17-7-10-20(29)27(13-17)12-15-3-2-4-18(11-15)22(23,24)25/h2-11,13H,12H2,1H3,(H,26,30)
InChIKeyXTVAMKUKXZJQOH-UHFFFAOYSA-N
XLogP4.37
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (CID 8697276) is N-(4-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is XTVAMKUKXZJQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O3/c1-14(28)16-5-8-19(9-6-16)26-21(30)17-7-10-20(29)27(13-17)12-15-3-2-4-18(11-15)22(23,24)25/h2-11,13H,12H2,1H3,(H,26,30).
What are the key properties of N-(4-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
N-(4-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 414.38 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 8697276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).