2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-chloro-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide

C101H81ClF3N29O13S — CID 159986750

About 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-chloro-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide

2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-chloro-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 159986750) has the molecular formula C101H81ClF3N29O13S and a molecular weight of 2033.46 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-chloro-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-chloro-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
• PubChem CID: 159986750
• Molecular Formula: C101H81ClF3N29O13S
• Molecular Weight: 2033.46 g/mol
• Exact Mass: 2031.59
• IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-chloro-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
• SMILES: O=C(CC1=NN=C(c2ccccn2)C1)c1ccc2c(c1)CCO2.O=C(COc1ccccc1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cc1ccc2c(c1)OCO2)Nc1n[nH]c(-c2ccccn2)n1.O=C(NC1=NN=C(c2ccccn2)C1)C1Cc2cc(Cl)ccc2O1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1csc(-c2ccco2)n1
• InChI: InChI=1S/C20H17F3N6O2.C18H15N3O2.C17H13ClN4O2.C16H13N5O3.C15H10N6O2S.C15H13N5O2/c21-20(22,23)14-5-3-4-12(8-14)10-29-11-13(9-16(29)30)18(31)26-19-25-17(27-28-19)15-6-1-2-7-24-15;22-17(12-4-5-18-13(9-12)6-8-23-18)11-14-10-16(21-20-14)15-3-1-2-7-19-15;18-11-4-5-14-10(7-11)8-15(24-14)17(23)20-16-9-13(21-22-16)12-3-1-2-6-19-12;22-14(8-10-4-5-12-13(7-10)24-9-23-12)18-16-19-15(20-21-16)11-3-1-2-6-17-11;22-13(10-8-24-14(17-10)11-5-3-7-23-11)19-15-18-12(20-21-15)9-4-1-2-6-16-9;21-13(10-22-11-6-2-1-3-7-11)17-15-18-14(19-20-15)12-8-4-5-9-16-12/h1-8,13H,9-11H2,(H2,25,26,27,28,31);1-5,7,9H,6,8,10-11H2;1-7,15H,8-9H2,(H,20,22,23);1-7H,8-9H2,(H2,18,19,20,21,22);1-8H,(H2,18,19,20,21,22);1-9H,10H2,(H2,17,18,19,20,21)
• InChIKey: OGKWOZQJBUJABX-UHFFFAOYSA-N
• XLogP: 14.57
• TPSA: 548.12 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 24
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2033.46
LogP ≤ 5	14.57
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-chloro-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?

The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-chloro-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (CID 159986750) is 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-chloro-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.

What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-chloro-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?

The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-chloro-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is O=C(CC1=NN=C(c2ccccn2)C1)c1ccc2c(c1)CCO2.O=C(COc1ccccc1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cc1ccc2c(c1)OCO2)Nc1n[nH]c(-c2ccccn2)n1.O=C(NC1=NN=C(c2ccccn2)C1)C1Cc2cc(Cl)ccc2O1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1csc(-c2ccco2)n1.

What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-chloro-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?

The InChIKey is OGKWOZQJBUJABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O2.C18H15N3O2.C17H13ClN4O2.C16H13N5O3.C15H10N6O2S.C15H13N5O2/c21-20(22,23)14-5-3-4-12(8-14)10-29-11-13(9-16(29)30)18(31)26-19-25-17(27-28-19)15-6-1-2-7-24-15;22-17(12-4-5-18-13(9-12)6-8-23-18)11-14-10-16(21-20-14)15-3-1-2-7-19-15;18-11-4-5-14-10(7-11)8-15(24-14)17(23)20-16-9-13(21-22-16)12-3-1-2-6-19-12;22-14(8-10-4-5-12-13(7-10)24-9-23-12)18-16-19-15(20-21-16)11-3-1-2-6-17-11;22-13(10-8-24-14(17-10)11-5-3-7-23-11)19-15-18-12(20-21-15)9-4-1-2-6-16-9;21-13(10-22-11-6-2-1-3-7-11)17-15-18-14(19-20-15)12-8-4-5-9-16-12/h1-8,13H,9-11H2,(H2,25,26,27,28,31);1-5,7,9H,6,8,10-11H2;1-7,15H,8-9H2,(H,20,22,23);1-7H,8-9H2,(H2,18,19,20,21,22);1-8H,(H2,18,19,20,21,22);1-9H,10H2,(H2,17,18,19,20,21).

What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-chloro-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?

2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-chloro-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 2033.46 g/mol, XLogP of 14.57, 24 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-chloro-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 159986750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).