N-(2-cyanophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

C21H14F3N3O2 — CID 8697272

IUPACN-(2-cyanophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H14F3N3O2/c22-21(23,24)17-6-3-4-14(10-17)12-27-13-16(8-9-19(27)28)20(29)26-18-7-2-1-5-15(18)11-25/h1-10,13H,12H2,(H,26,29)
InChIKeyFJRFKIABMJIGGZ-UHFFFAOYSA-N
MW397.36 g/mol
LogP4.04
Rot. Bonds4

About N-(2-cyanophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

N-(2-cyanophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 8697272) has the molecular formula C21H14F3N3O2 and a molecular weight of 397.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID8697272
Molecular FormulaC21H14F3N3O2
Molecular Weight397.36 g/mol
Exact Mass397.10
IUPAC NameN-(2-cyanophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H14F3N3O2/c22-21(23,24)17-6-3-4-14(10-17)12-27-13-16(8-9-19(27)28)20(29)26-18-7-2-1-5-15(18)11-25/h1-10,13H,12H2,(H,26,29)
InChIKeyFJRFKIABMJIGGZ-UHFFFAOYSA-N
XLogP4.04
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697298
N-(4-fluorophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697248
N-(3-fluorophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697243
1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide
CID 8671010
N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide
CID 9115538
N-(1,3-benzodioxol-5-yl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 18582674
1-methyl-3-[[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]thiourea
CID 2766579
1-[(4-chlorophenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 3778980
1-[(3-fluorophenyl)methyl]-N-(2-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 8671056
1-benzyl-N-(2-fluorophenyl)-6-oxopyridine-3-carboxamide
CID 8670963
N-(5-chloro-2-cyanophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671276
N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671048

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (CID 8697272) is N-(2-cyanophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is N#Cc1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(2-cyanophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is FJRFKIABMJIGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O2/c22-21(23,24)17-6-3-4-14(10-17)12-27-13-16(8-9-19(27)28)20(29)26-18-7-2-1-5-15(18)11-25/h1-10,13H,12H2,(H,26,29).
What are the key properties of N-(2-cyanophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
N-(2-cyanophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 397.36 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 8697272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).