2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide

C26H19FN6O — CID 134134596

IUPAC2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)c1-c1ccc(F)cc1)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C26H19FN6O/c27-22-9-6-20(7-10-22)26-25(19-12-14-28-15-13-19)31-32-33(26)17-24(34)30-23-11-8-21(16-29-23)18-4-2-1-3-5-18/h1-16H,17H2,(H,29,30,34)
InChIKeyQDCAEFBPUFYOIP-UHFFFAOYSA-N
MW450.48 g/mol
LogP4.85
Rot. Bonds6

About 2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide

2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide (PubChem CID 134134596) has the molecular formula C26H19FN6O and a molecular weight of 450.48 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
PubChem CID134134596
Molecular FormulaC26H19FN6O
Molecular Weight450.48 g/mol
Exact Mass450.16
IUPAC Name2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)c1-c1ccc(F)cc1)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C26H19FN6O/c27-22-9-6-20(7-10-22)26-25(19-12-14-28-15-13-19)31-32-33(26)17-24(34)30-23-11-8-21(16-29-23)18-4-2-1-3-5-18/h1-16H,17H2,(H,29,30,34)
InChIKeyQDCAEFBPUFYOIP-UHFFFAOYSA-N
XLogP4.85
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide (CID 134134596) is 2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide is O=C(Cn1nnc(-c2ccncc2)c1-c1ccc(F)cc1)Nc1ccc(-c2ccccc2)cn1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
The InChIKey is QDCAEFBPUFYOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN6O/c27-22-9-6-20(7-10-22)26-25(19-12-14-28-15-13-19)31-32-33(26)17-24(34)30-23-11-8-21(16-29-23)18-4-2-1-3-5-18/h1-16H,17H2,(H,29,30,34).
What are the key properties of 2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide has a molecular weight of 450.48 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide is sourced from PubChem (CID 134134596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).