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

C26H20N6O — CID 134154594

IUPACN-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C26H20N6O/c33-24(29-23-12-11-22(17-28-23)19-7-3-1-4-8-19)18-32-26(21-9-5-2-6-10-21)25(30-31-32)20-13-15-27-16-14-20/h1-17H,18H2,(H,28,29,33)
InChIKeyGYYDQHBKIHQHEB-UHFFFAOYSA-N
MW432.49 g/mol
LogP4.71
Rot. Bonds6

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

N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide (PubChem CID 134154594) has the molecular formula C26H20N6O and a molecular weight of 432.49 g/mol. Its IUPAC name is N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
PubChem CID134154594
Molecular FormulaC26H20N6O
Molecular Weight432.49 g/mol
Exact Mass432.17
IUPAC NameN-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C26H20N6O/c33-24(29-23-12-11-22(17-28-23)19-7-3-1-4-8-19)18-32-26(21-9-5-2-6-10-21)25(30-31-32)20-13-15-27-16-14-20/h1-17H,18H2,(H,28,29,33)
InChIKeyGYYDQHBKIHQHEB-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 N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide?
The IUPAC name of N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide (CID 134154594) is N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide.
What is the SMILES notation for N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide?
The canonical SMILES for N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide is O=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cn1.
What is the InChIKey of N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide?
The InChIKey is GYYDQHBKIHQHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O/c33-24(29-23-12-11-22(17-28-23)19-7-3-1-4-8-19)18-32-26(21-9-5-2-6-10-21)25(30-31-32)20-13-15-27-16-14-20/h1-17H,18H2,(H,28,29,33).
What are the key properties of N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide?
N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)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 N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide is sourced from PubChem (CID 134154594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).