N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]acetamide

C28H20F3N5O — CID 134313414

IUPACN-(5-phenyl-2-pyridinyl)-2-[5-phenyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]acetamide
SMILESO=C(Cc1nnn(-c2ccccc2C(F)(F)F)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C28H20F3N5O/c29-28(30,31)22-13-7-8-14-24(22)36-27(20-11-5-2-6-12-20)23(34-35-36)17-26(37)33-25-16-15-21(18-32-25)19-9-3-1-4-10-19/h1-16,18H,17H2,(H,32,33,37)
InChIKeyBPNDNBVANMXNIA-UHFFFAOYSA-N
MW499.50 g/mol
LogP6.20
Rot. Bonds6

About N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]acetamide

N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]acetamide (PubChem CID 134313414) has the molecular formula C28H20F3N5O and a molecular weight of 499.50 g/mol. Its IUPAC name is N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(5-phenyl-2-pyridinyl)-2-[5-phenyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]acetamide
PubChem CID134313414
Molecular FormulaC28H20F3N5O
Molecular Weight499.50 g/mol
Exact Mass499.16
IUPAC NameN-(5-phenyl-2-pyridinyl)-2-[5-phenyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]acetamide
SMILESO=C(Cc1nnn(-c2ccccc2C(F)(F)F)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C28H20F3N5O/c29-28(30,31)22-13-7-8-14-24(22)36-27(20-11-5-2-6-12-20)23(34-35-36)17-26(37)33-25-16-15-21(18-32-25)19-9-3-1-4-10-19/h1-16,18H,17H2,(H,32,33,37)
InChIKeyBPNDNBVANMXNIA-UHFFFAOYSA-N
XLogP6.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.50
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide
CID 134313404
2-[5-(4-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 138742074
2-[1-(2-methyl-4-pyridinyl)-5-phenyltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134313416
2-[5-(4-methoxyphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134313451
4-(chloromethyl)-5-(4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]triazole
CID 56769774
[5-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 56769333
2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide
CID 134313500
2-(4-methylphenyl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 90935995
[5-(3-methylphenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 56769478
(5-phenyl-2-pyridinyl)carbamic acid
CID 69225879
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55952063
5-(3-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxylic acid
CID 56768773

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]acetamide?
The IUPAC name of N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]acetamide (CID 134313414) is N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]acetamide.
What is the SMILES notation for N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]acetamide?
The canonical SMILES for N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]acetamide is O=C(Cc1nnn(-c2ccccc2C(F)(F)F)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cn1.
What is the InChIKey of N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]acetamide?
The InChIKey is BPNDNBVANMXNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F3N5O/c29-28(30,31)22-13-7-8-14-24(22)36-27(20-11-5-2-6-12-20)23(34-35-36)17-26(37)33-25-16-15-21(18-32-25)19-9-3-1-4-10-19/h1-16,18H,17H2,(H,32,33,37).
What are the key properties of N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]acetamide?
N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]acetamide has a molecular weight of 499.50 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]acetamide is sourced from PubChem (CID 134313414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).