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

C22H17F3N2O3 — CID 8697278

IUPACN-(3-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C22H17F3N2O3/c1-14(28)16-5-3-7-19(11-16)26-21(30)17-8-9-20(29)27(13-17)12-15-4-2-6-18(10-15)22(23,24)25/h2-11,13H,12H2,1H3,(H,26,30)
InChIKeyYMJFMJLRFNKTRG-UHFFFAOYSA-N
MW414.38 g/mol
LogP4.37
Rot. Bonds5

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

N-(3-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 8697278) has the molecular formula C22H17F3N2O3 and a molecular weight of 414.38 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID8697278
Molecular FormulaC22H17F3N2O3
Molecular Weight414.38 g/mol
Exact Mass414.12
IUPAC NameN-(3-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C22H17F3N2O3/c1-14(28)16-5-3-7-19(11-16)26-21(30)17-8-9-20(29)27(13-17)12-15-4-2-6-18(10-15)22(23,24)25/h2-11,13H,12H2,1H3,(H,26,30)
InChIKeyYMJFMJLRFNKTRG-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-(3-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (CID 8697278) is N-(3-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is YMJFMJLRFNKTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O3/c1-14(28)16-5-3-7-19(11-16)26-21(30)17-8-9-20(29)27(13-17)12-15-4-2-6-18(10-15)22(23,24)25/h2-11,13H,12H2,1H3,(H,26,30).
What are the key properties of N-(3-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
N-(3-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-(3-acetylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 8697278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).