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

C27H19F3N6O — CID 134157809

IUPACN-(5-phenyl-2-pyridinyl)-2-[5-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]triazol-1-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccnc(C(F)(F)F)c2)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C27H19F3N6O/c28-27(29,30)22-15-20(13-14-31-22)25-26(19-9-5-2-6-10-19)36(35-34-25)17-24(37)33-23-12-11-21(16-32-23)18-7-3-1-4-8-18/h1-16H,17H2,(H,32,33,37)
InChIKeyAULPWQWMNBTWCD-UHFFFAOYSA-N
MW500.48 g/mol
LogP5.73
Rot. Bonds6

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

N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]triazol-1-yl]acetamide (PubChem CID 134157809) has the molecular formula C27H19F3N6O and a molecular weight of 500.48 g/mol. Its IUPAC name is N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-phenyl-2-pyridinyl)-2-[5-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]triazol-1-yl]acetamide
PubChem CID134157809
Molecular FormulaC27H19F3N6O
Molecular Weight500.48 g/mol
Exact Mass500.16
IUPAC NameN-(5-phenyl-2-pyridinyl)-2-[5-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]triazol-1-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccnc(C(F)(F)F)c2)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C27H19F3N6O/c28-27(29,30)22-15-20(13-14-31-22)25-26(19-9-5-2-6-10-19)36(35-34-25)17-24(37)33-23-12-11-21(16-32-23)18-7-3-1-4-8-18/h1-16H,17H2,(H,32,33,37)
InChIKeyAULPWQWMNBTWCD-UHFFFAOYSA-N
XLogP5.73
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.48
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Las-101057
CID 16071896
N-[6-(2-fluorophenyl)-5-pyridin-4-ylpyrazin-2-yl]cyclopropanecarboxamide
CID 16071901
n-[6-(2-Fluorophenyl)-5-(3-fluoropyridin-4-yl)pyrazin-2-yl]cyclopropane-carboxamide
CID 53324032
(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide
CID 86303027
N-[4-[3-[6-(difluoromethyl)pyridin-2-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl]acetamide
CID 121412063
2-[5-(4-cyanophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134133501
2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134134596
N-(4-phenylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
CID 134136275
2-[5-(3-methylphenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134141231
N-(6-phenyl-3-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
CID 134141860
N-(5-phenylpyridin-2-yl)-2-[4-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]triazol-1-yl]acetamide
CID 134148381
2-(5-Phenyl-4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl)-N-(5-phenylpyridin-2-yl)acetamide
CID 134154594

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]triazol-1-yl]acetamide?
The IUPAC name of N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]triazol-1-yl]acetamide (CID 134157809) is N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]triazol-1-yl]acetamide?
The canonical SMILES for N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]triazol-1-yl]acetamide is O=C(Cn1nnc(-c2ccnc(C(F)(F)F)c2)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cn1.
What is the InChIKey of N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]triazol-1-yl]acetamide?
The InChIKey is AULPWQWMNBTWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N6O/c28-27(29,30)22-15-20(13-14-31-22)25-26(19-9-5-2-6-10-19)36(35-34-25)17-24(37)33-23-12-11-21(16-32-23)18-7-3-1-4-8-18/h1-16H,17H2,(H,32,33,37).
What are the key properties of N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]triazol-1-yl]acetamide?
N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]triazol-1-yl]acetamide has a molecular weight of 500.48 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]triazol-1-yl]acetamide is sourced from PubChem (CID 134157809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).