2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide

C90H82N26O11S — CID 159609362

About 2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide

2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide (PubChem CID 159609362) has the molecular formula C90H82N26O11S and a molecular weight of 1735.88 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide.

Molecular Properties

• Compound Name: 2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide
• PubChem CID: 159609362
• Molecular Formula: C90H82N26O11S
• Molecular Weight: 1735.88 g/mol
• Exact Mass: 1734.64
• IUPAC Name: 2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide
• SMILES: CN(CC(=O)Nc1n[nH]c(-c2ccccn2)n1)Cc1ccccc1.COc1ccccc1-c1cc(C(=O)NC2=NN=C(c3ccccn3)C2)no1.NC(=O)c1ccc(OCC(=O)CC2=NN=C(c3ccccn3)C2)cc1.O=C(CCC1=Nc2ccccc2C1)NC1=NN=C(c2ccccn2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cccc(N2CCCS2(=O)=O)c1
• InChI: InChI=1S/C19H15N5O3.C19H17N5O.C18H16N4O3.C17H16N6O3S.C17H18N6O/c1-26-16-8-3-2-6-12(16)17-10-15(24-27-17)19(25)21-18-11-14(22-23-18)13-7-4-5-9-20-13;25-19(9-8-14-11-13-5-1-2-6-15(13)21-14)22-18-12-17(23-24-18)16-7-3-4-10-20-16;19-18(24)12-4-6-15(7-5-12)25-11-14(23)9-13-10-17(22-21-13)16-3-1-2-8-20-16;24-16(20-17-19-15(21-22-17)14-7-1-2-8-18-14)12-5-3-6-13(11-12)23-9-4-10-27(23,25)26;1-23(11-13-7-3-2-4-8-13)12-15(24)19-17-20-16(21-22-17)14-9-5-6-10-18-14/h2-10H,11H2,1H3,(H,21,23,25);1-7,10H,8-9,11-12H2,(H,22,24,25);1-8H,9-11H2,(H2,19,24);1-3,5-8,11H,4,9-10H2,(H2,19,20,21,22,24);2-10H,11-12H2,1H3,(H2,19,20,21,22,24)
• InChIKey: MMMFOHACDWAWMR-UHFFFAOYSA-N
• XLogP: 10.86
• TPSA: 495.78 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1735.88
LogP ≤ 5	10.86
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide?

The IUPAC name of 2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide (CID 159609362) is 2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide.

What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide?

The canonical SMILES for 2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide is CN(CC(=O)Nc1n[nH]c(-c2ccccn2)n1)Cc1ccccc1.COc1ccccc1-c1cc(C(=O)NC2=NN=C(c3ccccn3)C2)no1.NC(=O)c1ccc(OCC(=O)CC2=NN=C(c3ccccn3)C2)cc1.O=C(CCC1=Nc2ccccc2C1)NC1=NN=C(c2ccccn2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cccc(N2CCCS2(=O)=O)c1.

What is the InChIKey of 2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide?

The InChIKey is MMMFOHACDWAWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3.C19H17N5O.C18H16N4O3.C17H16N6O3S.C17H18N6O/c1-26-16-8-3-2-6-12(16)17-10-15(24-27-17)19(25)21-18-11-14(22-23-18)13-7-4-5-9-20-13;25-19(9-8-14-11-13-5-1-2-6-15(13)21-14)22-18-12-17(23-24-18)16-7-3-4-10-20-16;19-18(24)12-4-6-15(7-5-12)25-11-14(23)9-13-10-17(22-21-13)16-3-1-2-8-20-16;24-16(20-17-19-15(21-22-17)14-7-1-2-8-18-14)12-5-3-6-13(11-12)23-9-4-10-27(23,25)26;1-23(11-13-7-3-2-4-8-13)12-15(24)19-17-20-16(21-22-17)14-9-5-6-10-18-14/h2-10H,11H2,1H3,(H,21,23,25);1-7,10H,8-9,11-12H2,(H,22,24,25);1-8H,9-11H2,(H2,19,24);1-3,5-8,11H,4,9-10H2,(H2,19,20,21,22,24);2-10H,11-12H2,1H3,(H2,19,20,21,22,24).

What are the key properties of 2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide?

2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide has a molecular weight of 1735.88 g/mol, XLogP of 10.86, 25 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide is sourced from PubChem (CID 159609362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).