N-[4-[6-chloro-4-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;(3,3-dimethylazetidin-1-yl)-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-methyl-5-[[methyl(phenyl)sulfamoyl]methyl]-3-pyridinyl]-2-pyridinyl]acetamide

C80H86ClF3N20O10S3 — CID 162205686

About N-[4-[6-chloro-4-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;(3,3-dimethylazetidin-1-yl)-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-methyl-5-[[methyl(phenyl)sulfamoyl]methyl]-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[6-chloro-4-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;(3,3-dimethylazetidin-1-yl)-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-methyl-5-[[methyl(phenyl)sulfamoyl]methyl]-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 162205686) has the molecular formula C80H86ClF3N20O10S3 and a molecular weight of 1676.35 g/mol. Its IUPAC name is N-[4-[6-chloro-4-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;(3,3-dimethylazetidin-1-yl)-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-methyl-5-[[methyl(phenyl)sulfamoyl]methyl]-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[6-chloro-4-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;(3,3-dimethylazetidin-1-yl)-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-methyl-5-[[methyl(phenyl)sulfamoyl]methyl]-3-pyridinyl]-2-pyridinyl]acetamide
• PubChem CID: 162205686
• Molecular Formula: C80H86ClF3N20O10S3
• Molecular Weight: 1676.35 g/mol
• Exact Mass: 1674.56
• IUPAC Name: N-[4-[6-chloro-4-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;(3,3-dimethylazetidin-1-yl)-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-methyl-5-[[methyl(phenyl)sulfamoyl]methyl]-3-pyridinyl]-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)N(C)c3ccccc3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(N3CC(N(C)C)CS3(=O)=O)c2)ccn1.CC(=O)Nc1cc(-c2cnc(Cl)c(CS(=O)(=O)c3cn(C)nc3C(F)(F)F)c2C)ccn1.Cc1nccc(Nc2cc(-c3cnc(C)c(C(=O)N4CC(C)(C)C4)c3)ccn2)n1
• InChI: InChI=1S/C22H24N6O.C21H22N4O3S.C19H17ClF3N5O3S.C18H23N5O3S/c1-14-18(21(29)28-12-22(3,4)13-28)9-17(11-25-14)16-5-7-24-20(10-16)27-19-6-8-23-15(2)26-19;1-15-19(14-29(27,28)25(3)20-7-5-4-6-8-20)11-18(13-23-15)17-9-10-22-21(12-17)24-16(2)26;1-10-13(12-4-5-24-16(6-12)26-11(2)29)7-25-18(20)14(10)9-32(30,31)15-8-28(3)27-17(15)19(21,22)23;1-12-17(23-10-16(22(3)4)11-27(23,25)26)7-15(9-20-12)14-5-6-19-18(8-14)21-13(2)24/h5-11H,12-13H2,1-4H3,(H,23,24,26,27);4-13H,14H2,1-3H3,(H,22,24,26);4-8H,9H2,1-3H3,(H,24,26,29);5-9,16H,10-11H2,1-4H3,(H,19,21,24)
• InChIKey: ZSDUBGUXGHKSSZ-UHFFFAOYSA-N
• XLogP: 12.43
• TPSA: 378.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1676.35
LogP ≤ 5	12.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-chloro-4-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;(3,3-dimethylazetidin-1-yl)-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-methyl-5-[[methyl(phenyl)sulfamoyl]methyl]-3-pyridinyl]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[6-chloro-4-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;(3,3-dimethylazetidin-1-yl)-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-methyl-5-[[methyl(phenyl)sulfamoyl]methyl]-3-pyridinyl]-2-pyridinyl]acetamide (CID 162205686) is N-[4-[6-chloro-4-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;(3,3-dimethylazetidin-1-yl)-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-methyl-5-[[methyl(phenyl)sulfamoyl]methyl]-3-pyridinyl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[6-chloro-4-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;(3,3-dimethylazetidin-1-yl)-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-methyl-5-[[methyl(phenyl)sulfamoyl]methyl]-3-pyridinyl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[6-chloro-4-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;(3,3-dimethylazetidin-1-yl)-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-methyl-5-[[methyl(phenyl)sulfamoyl]methyl]-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)N(C)c3ccccc3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(N3CC(N(C)C)CS3(=O)=O)c2)ccn1.CC(=O)Nc1cc(-c2cnc(Cl)c(CS(=O)(=O)c3cn(C)nc3C(F)(F)F)c2C)ccn1.Cc1nccc(Nc2cc(-c3cnc(C)c(C(=O)N4CC(C)(C)C4)c3)ccn2)n1.

What is the InChIKey of N-[4-[6-chloro-4-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;(3,3-dimethylazetidin-1-yl)-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-methyl-5-[[methyl(phenyl)sulfamoyl]methyl]-3-pyridinyl]-2-pyridinyl]acetamide?

The InChIKey is ZSDUBGUXGHKSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O.C21H22N4O3S.C19H17ClF3N5O3S.C18H23N5O3S/c1-14-18(21(29)28-12-22(3,4)13-28)9-17(11-25-14)16-5-7-24-20(10-16)27-19-6-8-23-15(2)26-19;1-15-19(14-29(27,28)25(3)20-7-5-4-6-8-20)11-18(13-23-15)17-9-10-22-21(12-17)24-16(2)26;1-10-13(12-4-5-24-16(6-12)26-11(2)29)7-25-18(20)14(10)9-32(30,31)15-8-28(3)27-17(15)19(21,22)23;1-12-17(23-10-16(22(3)4)11-27(23,25)26)7-15(9-20-12)14-5-6-19-18(8-14)21-13(2)24/h5-11H,12-13H2,1-4H3,(H,23,24,26,27);4-13H,14H2,1-3H3,(H,22,24,26);4-8H,9H2,1-3H3,(H,24,26,29);5-9,16H,10-11H2,1-4H3,(H,19,21,24).

What are the key properties of N-[4-[6-chloro-4-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;(3,3-dimethylazetidin-1-yl)-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-methyl-5-[[methyl(phenyl)sulfamoyl]methyl]-3-pyridinyl]-2-pyridinyl]acetamide?

N-[4-[6-chloro-4-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;(3,3-dimethylazetidin-1-yl)-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-methyl-5-[[methyl(phenyl)sulfamoyl]methyl]-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 1676.35 g/mol, XLogP of 12.43, 19 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-chloro-4-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[4-(dimethylamino)-1,1-dioxo-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;(3,3-dimethylazetidin-1-yl)-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-methyl-5-[[methyl(phenyl)sulfamoyl]methyl]-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 162205686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).