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

C27H21N5O — CID 134136275

IUPACN-(4-phenylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H21N5O/c33-25(29-24-13-11-21(12-14-24)20-7-3-1-4-8-20)19-32-27(23-9-5-2-6-10-23)26(30-31-32)22-15-17-28-18-16-22/h1-18H,19H2,(H,29,33)
InChIKeyCTXNYTKWPDDIPY-UHFFFAOYSA-N
MW431.50 g/mol
LogP5.31
Rot. Bonds6

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

N-(4-phenylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide (PubChem CID 134136275) has the molecular formula C27H21N5O and a molecular weight of 431.50 g/mol. Its IUPAC name is N-(4-phenylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-phenylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
PubChem CID134136275
Molecular FormulaC27H21N5O
Molecular Weight431.50 g/mol
Exact Mass431.17
IUPAC NameN-(4-phenylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H21N5O/c33-25(29-24-13-11-21(12-14-24)20-7-3-1-4-8-20)19-32-27(23-9-5-2-6-10-23)26(30-31-32)22-15-17-28-18-16-22/h1-18H,19H2,(H,29,33)
InChIKeyCTXNYTKWPDDIPY-UHFFFAOYSA-N
XLogP5.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide?
The IUPAC name of N-(4-phenylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide (CID 134136275) is N-(4-phenylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide.
What is the SMILES notation for N-(4-phenylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide?
The canonical SMILES for N-(4-phenylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide is O=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide?
The InChIKey is CTXNYTKWPDDIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O/c33-25(29-24-13-11-21(12-14-24)20-7-3-1-4-8-20)19-32-27(23-9-5-2-6-10-23)26(30-31-32)22-15-17-28-18-16-22/h1-18H,19H2,(H,29,33).
What are the key properties of N-(4-phenylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide?
N-(4-phenylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide has a molecular weight of 431.50 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide is sourced from PubChem (CID 134136275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).