2-methyl-4,5-diphenyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide

C28H20F3N5O — CID 167302284

IUPAC2-methyl-4,5-diphenyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCc1cc(-c2ccccc2)c(-c2ccccc2)cc1C(=O)Nc1cnc(-n2nccn2)c(C(F)(F)F)c1
InChIInChI=1S/C28H20F3N5O/c1-18-14-23(19-8-4-2-5-9-19)24(20-10-6-3-7-11-20)16-22(18)27(37)35-21-15-25(28(29,30)31)26(32-17-21)36-33-12-13-34-36/h2-17H,1H3,(H,35,37)
InChIKeyULQHYJREJMOGBN-UHFFFAOYSA-N
MW499.50 g/mol
LogP6.58
Rot. Bonds5

About 2-methyl-4,5-diphenyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide

2-methyl-4,5-diphenyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide (PubChem CID 167302284) has the molecular formula C28H20F3N5O and a molecular weight of 499.50 g/mol. Its IUPAC name is 2-methyl-4,5-diphenyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-methyl-4,5-diphenyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
PubChem CID167302284
Molecular FormulaC28H20F3N5O
Molecular Weight499.50 g/mol
Exact Mass499.16
IUPAC Name2-methyl-4,5-diphenyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCc1cc(-c2ccccc2)c(-c2ccccc2)cc1C(=O)Nc1cnc(-n2nccn2)c(C(F)(F)F)c1
InChIInChI=1S/C28H20F3N5O/c1-18-14-23(19-8-4-2-5-9-19)24(20-10-6-3-7-11-20)16-22(18)27(37)35-21-15-25(28(29,30)31)26(32-17-21)36-33-12-13-34-36/h2-17H,1H3,(H,35,37)
InChIKeyULQHYJREJMOGBN-UHFFFAOYSA-N
XLogP6.58
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.50
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-fluoro-6-methylphenyl)-2-methyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 166463215
2-chloro-4-(2-chloro-4-fluorophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 166462944
2-chloro-5-fluoro-4-(4-fluoro-2-iodophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 166463101
N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 70338497
2-chloro-4-(2-chloro-4-fluorophenyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
CID 166462993
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(2-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285371
2-chloro-4-(3-ethynyl-5-fluoro-2-pyridinyl)-5-fluoro-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 166463032
2-chloro-5-fluoro-4-(4-fluorophenyl)-5-methoxy-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]cyclohexa-1,3-diene-1-carboxamide
CID 175554042
1-(4-chloro-2-methylphenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285295
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-phenyl-3-(trifluoromethyl)phenyl]benzamide
CID 71211094
CID 171093935
CID 171093935
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-ethynyl-4-(4-fluoro-2-formylphenyl)-2-methylbenzamide
CID 167302717

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-diphenyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide?
The IUPAC name of 2-methyl-4,5-diphenyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide (CID 167302284) is 2-methyl-4,5-diphenyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-methyl-4,5-diphenyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide?
The canonical SMILES for 2-methyl-4,5-diphenyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide is Cc1cc(-c2ccccc2)c(-c2ccccc2)cc1C(=O)Nc1cnc(-n2nccn2)c(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-4,5-diphenyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide?
The InChIKey is ULQHYJREJMOGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F3N5O/c1-18-14-23(19-8-4-2-5-9-19)24(20-10-6-3-7-11-20)16-22(18)27(37)35-21-15-25(28(29,30)31)26(32-17-21)36-33-12-13-34-36/h2-17H,1H3,(H,35,37).
What are the key properties of 2-methyl-4,5-diphenyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide?
2-methyl-4,5-diphenyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide has a molecular weight of 499.50 g/mol, XLogP of 6.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-diphenyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 167302284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).