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

C26H20N6O — CID 134146119

IUPAC2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C26H20N6O/c33-24(29-22-11-9-19(10-12-22)23-8-4-5-15-28-23)18-32-26(21-6-2-1-3-7-21)25(30-31-32)20-13-16-27-17-14-20/h1-17H,18H2,(H,29,33)
InChIKeyKVLSYCFXEWVFAB-UHFFFAOYSA-N
MW432.49 g/mol
LogP4.71
Rot. Bonds6

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

2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide (PubChem CID 134146119) 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-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide
PubChem CID134146119
Molecular FormulaC26H20N6O
Molecular Weight432.49 g/mol
Exact Mass432.17
IUPAC Name2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C26H20N6O/c33-24(29-22-11-9-19(10-12-22)23-8-4-5-15-28-23)18-32-26(21-6-2-1-3-7-21)25(30-31-32)20-13-16-27-17-14-20/h1-17H,18H2,(H,29,33)
InChIKeyKVLSYCFXEWVFAB-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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Related Compounds

ML300-based SC inhibitor 24
CID 156027221
ML300-based SC inhibitor 25
CID 156027222
ML300-based SC inhibitor 34
CID 156027230
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
N-(5-phenylpyridin-2-yl)-2-[5-phenyl-4-[2-(trifluoromethyl)pyridin-4-yl]triazol-1-yl]acetamide
CID 134157809
ML300-based SC inhibitor 22
CID 156027219

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide?
The IUPAC name of 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide (CID 134146119) is 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide?
The canonical SMILES for 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide is O=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide?
The InChIKey is KVLSYCFXEWVFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O/c33-24(29-22-11-9-19(10-12-22)23-8-4-5-15-28-23)18-32-26(21-6-2-1-3-7-21)25(30-31-32)20-13-16-27-17-14-20/h1-17H,18H2,(H,29,33).
What are the key properties of 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide?
2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-2-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-2-ylphenyl)acetamide is sourced from PubChem (CID 134146119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).