N-(6-phenyl-3-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide

C26H20N6O — CID 134141860

IUPACN-(6-phenyl-3-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccccc2)nc1
InChIInChI=1S/C26H20N6O/c33-24(29-22-11-12-23(28-17-22)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,29,33)
InChIKeyJOHUVEZXWQHJAH-UHFFFAOYSA-N
MW432.49 g/mol
LogP4.71
Rot. Bonds6

About N-(6-phenyl-3-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide

N-(6-phenyl-3-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide (PubChem CID 134141860) has the molecular formula C26H20N6O and a molecular weight of 432.49 g/mol. Its IUPAC name is N-(6-phenyl-3-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-phenyl-3-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
PubChem CID134141860
Molecular FormulaC26H20N6O
Molecular Weight432.49 g/mol
Exact Mass432.17
IUPAC NameN-(6-phenyl-3-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccccc2)nc1
InChIInChI=1S/C26H20N6O/c33-24(29-22-11-12-23(28-17-22)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,29,33)
InChIKeyJOHUVEZXWQHJAH-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

N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 10425450
ML300-based SC inhibitor 24
CID 156027221
ML300-based SC inhibitor 25
CID 156027222
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-(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
N,5,6-triphenylpyrazine-2-carboxamide
CID 10236980
ML300-based SC inhibitor 22
CID 156027219

Frequently Asked Questions

What is the IUPAC name of N-(6-phenyl-3-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide?
The IUPAC name of N-(6-phenyl-3-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide (CID 134141860) is N-(6-phenyl-3-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide.
What is the SMILES notation for N-(6-phenyl-3-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide?
The canonical SMILES for N-(6-phenyl-3-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide is O=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccccc2)nc1.
What is the InChIKey of N-(6-phenyl-3-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide?
The InChIKey is JOHUVEZXWQHJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O/c33-24(29-22-11-12-23(28-17-22)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,29,33).
What are the key properties of N-(6-phenyl-3-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide?
N-(6-phenyl-3-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-(6-phenyl-3-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide is sourced from PubChem (CID 134141860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).