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

C27H19N7O — CID 134133501

IUPAC2-[5-(4-cyanophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
SMILESN#Cc1ccc(-c2c(-c3ccncc3)nnn2CC(=O)Nc2ccc(-c3ccccc3)cn2)cc1
InChIInChI=1S/C27H19N7O/c28-16-19-6-8-22(9-7-19)27-26(21-12-14-29-15-13-21)32-33-34(27)18-25(35)31-24-11-10-23(17-30-24)20-4-2-1-3-5-20/h1-15,17H,18H2,(H,30,31,35)
InChIKeyMRDDUUJWDJREPU-UHFFFAOYSA-N
MW457.50 g/mol
LogP4.58
Rot. Bonds6

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

2-[5-(4-cyanophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide (PubChem CID 134133501) has the molecular formula C27H19N7O and a molecular weight of 457.50 g/mol. Its IUPAC name is 2-[5-(4-cyanophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-cyanophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
PubChem CID134133501
Molecular FormulaC27H19N7O
Molecular Weight457.50 g/mol
Exact Mass457.17
IUPAC Name2-[5-(4-cyanophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
SMILESN#Cc1ccc(-c2c(-c3ccncc3)nnn2CC(=O)Nc2ccc(-c3ccccc3)cn2)cc1
InChIInChI=1S/C27H19N7O/c28-16-19-6-8-22(9-7-19)27-26(21-12-14-29-15-13-21)32-33-34(27)18-25(35)31-24-11-10-23(17-30-24)20-4-2-1-3-5-20/h1-15,17H,18H2,(H,30,31,35)
InChIKeyMRDDUUJWDJREPU-UHFFFAOYSA-N
XLogP4.58
TPSA109.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-cyanophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[5-(4-cyanophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide (CID 134133501) is 2-[5-(4-cyanophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[5-(4-cyanophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[5-(4-cyanophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide is N#Cc1ccc(-c2c(-c3ccncc3)nnn2CC(=O)Nc2ccc(-c3ccccc3)cn2)cc1.
What is the InChIKey of 2-[5-(4-cyanophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
The InChIKey is MRDDUUJWDJREPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N7O/c28-16-19-6-8-22(9-7-19)27-26(21-12-14-29-15-13-21)32-33-34(27)18-25(35)31-24-11-10-23(17-30-24)20-4-2-1-3-5-20/h1-15,17H,18H2,(H,30,31,35).
What are the key properties of 2-[5-(4-cyanophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
2-[5-(4-cyanophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide has a molecular weight of 457.50 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-cyanophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide is sourced from PubChem (CID 134133501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).