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

C24H18N6OS — CID 134145841

IUPAC2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-thiophen-2-yl-2-pyridinyl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2cccs2)cn1
InChIInChI=1S/C24H18N6OS/c31-22(27-21-9-8-19(15-26-21)20-7-4-14-32-20)16-30-24(18-5-2-1-3-6-18)23(28-29-30)17-10-12-25-13-11-17/h1-15H,16H2,(H,26,27,31)
InChIKeyRRSFKLUPJQWKGK-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.77
Rot. Bonds6

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

2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-thiophen-2-yl-2-pyridinyl)acetamide (PubChem CID 134145841) has the molecular formula C24H18N6OS and a molecular weight of 438.52 g/mol. Its IUPAC name is 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-thiophen-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-thiophen-2-yl-2-pyridinyl)acetamide
PubChem CID134145841
Molecular FormulaC24H18N6OS
Molecular Weight438.52 g/mol
Exact Mass438.13
IUPAC Name2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-thiophen-2-yl-2-pyridinyl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2cccs2)cn1
InChIInChI=1S/C24H18N6OS/c31-22(27-21-9-8-19(15-26-21)20-7-4-14-32-20)16-30-24(18-5-2-1-3-6-18)23(28-29-30)17-10-12-25-13-11-17/h1-15H,16H2,(H,26,27,31)
InChIKeyRRSFKLUPJQWKGK-UHFFFAOYSA-N
XLogP4.77
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134134596
2-[5-(3-methylphenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134141231
N-(5-phenylpyridin-2-yl)-2-[4-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]triazol-1-yl]acetamide
CID 134148381
2-(5-Phenyl-4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl)-N-(5-phenylpyridin-2-yl)acetamide
CID 134154594
N-(5-phenylpyridin-2-yl)-2-[5-phenyl-4-[2-(trifluoromethyl)pyridin-4-yl]triazol-1-yl]acetamide
CID 134157809
2-[4-(2-methyl-4-pyridinyl)phenyl]sulfanyl-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 122192866
2-[4-(3-fluoro-4-pyridinyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134138814
2-[4-(3-methyl-4-pyridinyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134145164
2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-thiophen-3-yl-2-pyridinyl)acetamide
CID 134156936
3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 122445528
N-[3-[6-(2-thienyl)imidazo [1,2-b]pyridazin-3-yl]phenyl] acetamide
CID 126673008
2-[5-(2-methylphenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134132429

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-thiophen-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-thiophen-2-yl-2-pyridinyl)acetamide (CID 134145841) is 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-thiophen-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-thiophen-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-thiophen-2-yl-2-pyridinyl)acetamide is O=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2cccs2)cn1.
What is the InChIKey of 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-thiophen-2-yl-2-pyridinyl)acetamide?
The InChIKey is RRSFKLUPJQWKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6OS/c31-22(27-21-9-8-19(15-26-21)20-7-4-14-32-20)16-30-24(18-5-2-1-3-6-18)23(28-29-30)17-10-12-25-13-11-17/h1-15H,16H2,(H,26,27,31).
What are the key properties of 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-thiophen-2-yl-2-pyridinyl)acetamide?
2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-thiophen-2-yl-2-pyridinyl)acetamide has a molecular weight of 438.52 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-thiophen-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 134145841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).