2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-cyclopent-2-en-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)pentan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide

C93H94N32O10S — CID 158340815

About 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-cyclopent-2-en-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)pentan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide

2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-cyclopent-2-en-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)pentan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide (PubChem CID 158340815) has the molecular formula C93H94N32O10S and a molecular weight of 1852.06 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-cyclopent-2-en-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)pentan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-cyclopent-2-en-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)pentan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide
• PubChem CID: 158340815
• Molecular Formula: C93H94N32O10S
• Molecular Weight: 1852.06 g/mol
• Exact Mass: 1850.76
• IUPAC Name: 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-cyclopent-2-en-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)pentan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide
• SMILES: CC(C)c1noc(CCC(=O)Cc2nc(-c3ccccn3)n[nH]2)n1.CC(C)c1noc(CCCC(=O)Cc2nc(-c3ccccn3)n[nH]2)n1.COc1ccc(CC(=O)Nc2cnc(-c3ccccn3)[nH]2)cc1.N#Cc1ccccc1OCC(=O)Nc1n[nH]c(-c2ccccn2)n1.O=C(CC1C=CCC1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cc1cccs1)Nc1n[nH]c(-c2ccccn2)n1.[H][H]
• InChI: InChI=1S/C17H20N6O2.C17H16N4O2.C16H18N6O2.C16H12N6O2.C14H15N5O.C13H11N5OS.H2/c1-11(2)16-20-15(25-23-16)8-5-6-12(24)10-14-19-17(22-21-14)13-7-3-4-9-18-13;1-23-13-7-5-12(6-8-13)10-16(22)20-15-11-19-17(21-15)14-4-2-3-9-18-14;1-10(2)15-19-14(24-22-15)7-6-11(23)9-13-18-16(21-20-13)12-5-3-4-8-17-12;17-9-11-5-1-2-7-13(11)24-10-14(23)19-16-20-15(21-22-16)12-6-3-4-8-18-12;20-12(9-10-5-1-2-6-10)16-14-17-13(18-19-14)11-7-3-4-8-15-11;19-11(8-9-4-3-7-20-9)15-13-16-12(17-18-13)10-5-1-2-6-14-10;/h3-4,7,9,11H,5-6,8,10H2,1-2H3,(H,19,21,22);2-9,11H,10H2,1H3,(H,19,21)(H,20,22);3-5,8,10H,6-7,9H2,1-2H3,(H,18,20,21);1-8H,10H2,(H2,19,20,21,22,23);1,3-5,7-8,10H,2,6,9H2,(H2,16,17,18,19,20);1-7H,8H2,(H2,15,16,17,18,19);1H
• InChIKey: GRDGWHAQPZXNSP-UHFFFAOYSA-N
• XLogP: 13.56
• TPSA: 584.50 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 33
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1852.06
LogP ≤ 5	13.56
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-cyclopent-2-en-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)pentan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide?

The IUPAC name of 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-cyclopent-2-en-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)pentan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide (CID 158340815) is 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-cyclopent-2-en-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)pentan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide.

What is the SMILES notation for 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-cyclopent-2-en-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)pentan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide?

The canonical SMILES for 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-cyclopent-2-en-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)pentan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide is CC(C)c1noc(CCC(=O)Cc2nc(-c3ccccn3)n[nH]2)n1.CC(C)c1noc(CCCC(=O)Cc2nc(-c3ccccn3)n[nH]2)n1.COc1ccc(CC(=O)Nc2cnc(-c3ccccn3)[nH]2)cc1.N#Cc1ccccc1OCC(=O)Nc1n[nH]c(-c2ccccn2)n1.O=C(CC1C=CCC1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cc1cccs1)Nc1n[nH]c(-c2ccccn2)n1.[H][H].

What is the InChIKey of 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-cyclopent-2-en-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)pentan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide?

The InChIKey is GRDGWHAQPZXNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2.C17H16N4O2.C16H18N6O2.C16H12N6O2.C14H15N5O.C13H11N5OS.H2/c1-11(2)16-20-15(25-23-16)8-5-6-12(24)10-14-19-17(22-21-14)13-7-3-4-9-18-13;1-23-13-7-5-12(6-8-13)10-16(22)20-15-11-19-17(21-15)14-4-2-3-9-18-14;1-10(2)15-19-14(24-22-15)7-6-11(23)9-13-18-16(21-20-13)12-5-3-4-8-17-12;17-9-11-5-1-2-7-13(11)24-10-14(23)19-16-20-15(21-22-16)12-6-3-4-8-18-12;20-12(9-10-5-1-2-6-10)16-14-17-13(18-19-14)11-7-3-4-8-15-11;19-11(8-9-4-3-7-20-9)15-13-16-12(17-18-13)10-5-1-2-6-14-10;/h3-4,7,9,11H,5-6,8,10H2,1-2H3,(H,19,21,22);2-9,11H,10H2,1H3,(H,19,21)(H,20,22);3-5,8,10H,6-7,9H2,1-2H3,(H,18,20,21);1-8H,10H2,(H2,19,20,21,22,23);1,3-5,7-8,10H,2,6,9H2,(H2,16,17,18,19,20);1-7H,8H2,(H2,15,16,17,18,19);1H.

What are the key properties of 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-cyclopent-2-en-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)pentan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide?

2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-cyclopent-2-en-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)pentan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide has a molecular weight of 1852.06 g/mol, XLogP of 13.56, 33 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-cyclopent-2-en-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)pentan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 158340815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).