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

C28H23N5O2 — CID 134132859

IUPAC2-[4-(4-methoxyphenyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
SMILESCOc1ccc(-c2nnn(CC(=O)Nc3ccc(-c4ccccc4)cn3)c2-c2ccccc2)cc1
InChIInChI=1S/C28H23N5O2/c1-35-24-15-12-21(13-16-24)27-28(22-10-6-3-7-11-22)33(32-31-27)19-26(34)30-25-17-14-23(18-29-25)20-8-4-2-5-9-20/h2-18H,19H2,1H3,(H,29,30,34)
InChIKeyAPGNKKYGKZSAHC-UHFFFAOYSA-N
MW461.53 g/mol
LogP5.32
Rot. Bonds7

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

2-[4-(4-methoxyphenyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide (PubChem CID 134132859) has the molecular formula C28H23N5O2 and a molecular weight of 461.53 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
PubChem CID134132859
Molecular FormulaC28H23N5O2
Molecular Weight461.53 g/mol
Exact Mass461.19
IUPAC Name2-[4-(4-methoxyphenyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
SMILESCOc1ccc(-c2nnn(CC(=O)Nc3ccc(-c4ccccc4)cn3)c2-c2ccccc2)cc1
InChIInChI=1S/C28H23N5O2/c1-35-24-15-12-21(13-16-24)27-28(22-10-6-3-7-11-22)33(32-31-27)19-26(34)30-25-17-14-23(18-29-25)20-8-4-2-5-9-20/h2-18H,19H2,1H3,(H,29,30,34)
InChIKeyAPGNKKYGKZSAHC-UHFFFAOYSA-N
XLogP5.32
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.53
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide (CID 134132859) is 2-[4-(4-methoxyphenyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide is COc1ccc(-c2nnn(CC(=O)Nc3ccc(-c4ccccc4)cn3)c2-c2ccccc2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
The InChIKey is APGNKKYGKZSAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O2/c1-35-24-15-12-21(13-16-24)27-28(22-10-6-3-7-11-22)33(32-31-27)19-26(34)30-25-17-14-23(18-29-25)20-8-4-2-5-9-20/h2-18H,19H2,1H3,(H,29,30,34).
What are the key properties of 2-[4-(4-methoxyphenyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
2-[4-(4-methoxyphenyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide has a molecular weight of 461.53 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide is sourced from PubChem (CID 134132859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).