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

C27H22N6O — CID 134313416

IUPAC2-[1-(2-methyl-4-pyridinyl)-5-phenyltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide
SMILESCc1cc(-n2nnc(CC(=O)Nc3ccc(-c4ccccc4)cn3)c2-c2ccccc2)ccn1
InChIInChI=1S/C27H22N6O/c1-19-16-23(14-15-28-19)33-27(21-10-6-3-7-11-21)24(31-32-33)17-26(34)30-25-13-12-22(18-29-25)20-8-4-2-5-9-20/h2-16,18H,17H2,1H3,(H,29,30,34)
InChIKeyODKJNICBLHLNJS-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.88
Rot. Bonds6

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

2-[1-(2-methyl-4-pyridinyl)-5-phenyltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide (PubChem CID 134313416) has the molecular formula C27H22N6O and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-[1-(2-methyl-4-pyridinyl)-5-phenyltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methyl-4-pyridinyl)-5-phenyltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide
PubChem CID134313416
Molecular FormulaC27H22N6O
Molecular Weight446.51 g/mol
Exact Mass446.19
IUPAC Name2-[1-(2-methyl-4-pyridinyl)-5-phenyltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide
SMILESCc1cc(-n2nnc(CC(=O)Nc3ccc(-c4ccccc4)cn3)c2-c2ccccc2)ccn1
InChIInChI=1S/C27H22N6O/c1-19-16-23(14-15-28-19)33-27(21-10-6-3-7-11-21)24(31-32-33)17-26(34)30-25-13-12-22(18-29-25)20-8-4-2-5-9-20/h2-16,18H,17H2,1H3,(H,29,30,34)
InChIKeyODKJNICBLHLNJS-UHFFFAOYSA-N
XLogP4.88
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 138742074
N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide
CID 134313404
2-[5-(4-methoxyphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134313451
N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]acetamide
CID 134313414
2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide
CID 134313500
N-[4-(furan-3-yl)phenyl]-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide
CID 134313469
N-(6-phenyl-3-pyridinyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide
CID 134313454
2-(4-methylphenyl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 90935995
N-[5-(3-methylphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 58447730
2-[1-(3-methylphenyl)-5-phenyltriazol-4-yl]acetic acid
CID 82198087
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55952063
(5-phenyl-2-pyridinyl)carbamic acid
CID 69225879

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyl-4-pyridinyl)-5-phenyltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[1-(2-methyl-4-pyridinyl)-5-phenyltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide (CID 134313416) is 2-[1-(2-methyl-4-pyridinyl)-5-phenyltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[1-(2-methyl-4-pyridinyl)-5-phenyltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[1-(2-methyl-4-pyridinyl)-5-phenyltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide is Cc1cc(-n2nnc(CC(=O)Nc3ccc(-c4ccccc4)cn3)c2-c2ccccc2)ccn1.
What is the InChIKey of 2-[1-(2-methyl-4-pyridinyl)-5-phenyltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
The InChIKey is ODKJNICBLHLNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O/c1-19-16-23(14-15-28-19)33-27(21-10-6-3-7-11-21)24(31-32-33)17-26(34)30-25-13-12-22(18-29-25)20-8-4-2-5-9-20/h2-16,18H,17H2,1H3,(H,29,30,34).
What are the key properties of 2-[1-(2-methyl-4-pyridinyl)-5-phenyltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
2-[1-(2-methyl-4-pyridinyl)-5-phenyltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide has a molecular weight of 446.51 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyl-4-pyridinyl)-5-phenyltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide is sourced from PubChem (CID 134313416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).