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

C24H18N8O — CID 134135744

IUPAC2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2cncnc2)cn1
InChIInChI=1S/C24H18N8O/c33-22(29-21-7-6-19(14-28-21)20-12-26-16-27-13-20)15-32-24(18-4-2-1-3-5-18)23(30-31-32)17-8-10-25-11-9-17/h1-14,16H,15H2,(H,28,29,33)
InChIKeyWCFJSCJMAJDTNS-UHFFFAOYSA-N
MW434.46 g/mol
LogP3.50
Rot. Bonds6

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

2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide (PubChem CID 134135744) has the molecular formula C24H18N8O and a molecular weight of 434.46 g/mol. Its IUPAC name is 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide
PubChem CID134135744
Molecular FormulaC24H18N8O
Molecular Weight434.46 g/mol
Exact Mass434.16
IUPAC Name2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2cncnc2)cn1
InChIInChI=1S/C24H18N8O/c33-22(29-21-7-6-19(14-28-21)20-12-26-16-27-13-20)15-32-24(18-4-2-1-3-5-18)23(30-31-32)17-8-10-25-11-9-17/h1-14,16H,15H2,(H,28,29,33)
InChIKeyWCFJSCJMAJDTNS-UHFFFAOYSA-N
XLogP3.50
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide (CID 134135744) is 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide is O=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2cncnc2)cn1.
What is the InChIKey of 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide?
The InChIKey is WCFJSCJMAJDTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N8O/c33-22(29-21-7-6-19(14-28-21)20-12-26-16-27-13-20)15-32-24(18-4-2-1-3-5-18)23(30-31-32)17-8-10-25-11-9-17/h1-14,16H,15H2,(H,28,29,33).
What are the key properties of 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide?
2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide has a molecular weight of 434.46 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 134135744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).