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

C27H22N6O2 — CID 134313451

IUPAC2-[5-(4-methoxyphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide
SMILESCOc1ccc(-c2c(CC(=O)Nc3ccc(-c4ccccc4)cn3)nnn2-c2ccncc2)cc1
InChIInChI=1S/C27H22N6O2/c1-35-23-10-7-20(8-11-23)27-24(31-32-33(27)22-13-15-28-16-14-22)17-26(34)30-25-12-9-21(18-29-25)19-5-3-2-4-6-19/h2-16,18H,17H2,1H3,(H,29,30,34)
InChIKeyQCDCVJMMVOLYNW-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.58
Rot. Bonds7

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

2-[5-(4-methoxyphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide (PubChem CID 134313451) has the molecular formula C27H22N6O2 and a molecular weight of 462.51 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide
PubChem CID134313451
Molecular FormulaC27H22N6O2
Molecular Weight462.51 g/mol
Exact Mass462.18
IUPAC Name2-[5-(4-methoxyphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide
SMILESCOc1ccc(-c2c(CC(=O)Nc3ccc(-c4ccccc4)cn3)nnn2-c2ccncc2)cc1
InChIInChI=1S/C27H22N6O2/c1-35-23-10-7-20(8-11-23)27-24(31-32-33(27)22-13-15-28-16-14-22)17-26(34)30-25-12-9-21(18-29-25)19-5-3-2-4-6-19/h2-16,18H,17H2,1H3,(H,29,30,34)
InChIKeyQCDCVJMMVOLYNW-UHFFFAOYSA-N
XLogP4.58
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
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-methoxyphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[5-(4-methoxyphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide (CID 134313451) is 2-[5-(4-methoxyphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[5-(4-methoxyphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide is COc1ccc(-c2c(CC(=O)Nc3ccc(-c4ccccc4)cn3)nnn2-c2ccncc2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
The InChIKey is QCDCVJMMVOLYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O2/c1-35-23-10-7-20(8-11-23)27-24(31-32-33(27)22-13-15-28-16-14-22)17-26(34)30-25-12-9-21(18-29-25)19-5-3-2-4-6-19/h2-16,18H,17H2,1H3,(H,29,30,34).
What are the key properties of 2-[5-(4-methoxyphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
2-[5-(4-methoxyphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide has a molecular weight of 462.51 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide is sourced from PubChem (CID 134313451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).