2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-3-ylphenyl)acetamide

C26H20N6O — CID 134136406

IUPAC2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-3-ylphenyl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C26H20N6O/c33-24(29-23-10-8-19(9-11-23)22-7-4-14-28-17-22)18-32-26(21-5-2-1-3-6-21)25(30-31-32)20-12-15-27-16-13-20/h1-17H,18H2,(H,29,33)
InChIKeyGTWKJVBCZGEOMI-UHFFFAOYSA-N
MW432.49 g/mol
LogP4.71
Rot. Bonds6

About 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-3-ylphenyl)acetamide

2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-3-ylphenyl)acetamide (PubChem CID 134136406) has the molecular formula C26H20N6O and a molecular weight of 432.49 g/mol. Its IUPAC name is 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-3-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-3-ylphenyl)acetamide
PubChem CID134136406
Molecular FormulaC26H20N6O
Molecular Weight432.49 g/mol
Exact Mass432.17
IUPAC Name2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-3-ylphenyl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C26H20N6O/c33-24(29-23-10-8-19(9-11-23)22-7-4-14-28-17-22)18-32-26(21-5-2-1-3-6-21)25(30-31-32)20-12-15-27-16-13-20/h1-17H,18H2,(H,29,33)
InChIKeyGTWKJVBCZGEOMI-UHFFFAOYSA-N
XLogP4.71
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-3-ylphenyl)acetamide?
The IUPAC name of 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-3-ylphenyl)acetamide (CID 134136406) is 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-3-ylphenyl)acetamide.
What is the SMILES notation for 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-3-ylphenyl)acetamide?
The canonical SMILES for 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-3-ylphenyl)acetamide is O=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2cccnc2)cc1.
What is the InChIKey of 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-3-ylphenyl)acetamide?
The InChIKey is GTWKJVBCZGEOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O/c33-24(29-23-10-8-19(9-11-23)22-7-4-14-28-17-22)18-32-26(21-5-2-1-3-6-21)25(30-31-32)20-12-15-27-16-13-20/h1-17H,18H2,(H,29,33).
What are the key properties of 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-3-ylphenyl)acetamide?
2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-3-ylphenyl)acetamide has a molecular weight of 432.49 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-3-ylphenyl)acetamide is sourced from PubChem (CID 134136406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).