N-[5-[5-cyano-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-methoxy-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide

C145H120F18N24O12S — CID 158356876

About N-[5-[5-cyano-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-methoxy-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide

N-[5-[5-cyano-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-methoxy-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 158356876) has the molecular formula C145H120F18N24O12S and a molecular weight of 2764.74 g/mol. Its IUPAC name is N-[5-[5-cyano-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-methoxy-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[5-[5-cyano-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-methoxy-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
• PubChem CID: 158356876
• Molecular Formula: C145H120F18N24O12S
• Molecular Weight: 2764.74 g/mol
• Exact Mass: 2762.90
• IUPAC Name: N-[5-[5-cyano-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-methoxy-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
• SMILES: CCCNc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)cc1C#N.COc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)cc1C#N.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N2CC(O)C2)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(NC2CCOCC2)c(C#N)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N2CCS(=O)(=O)CC2)c(C#N)c1
• InChI: InChI=1S/C26H23F3N4O2.C25H21F3N4O2.C24H20F3N5O3S.C24H19F3N4O2.C24H21F3N4O.C22H16F3N3O2/c1-16-5-6-22(33-25(34)17-3-2-4-20(12-17)26(27,28)29)13-23(16)19-11-18(14-30)24(31-15-19)32-21-7-9-35-10-8-21;1-16-5-6-21(31-24(33)17-3-2-4-20(12-17)25(26,27)28)13-22(16)19-11-18(14-29)23(30-15-19)32-7-9-34-10-8-32;1-15-21(18-9-17(12-28)22(30-13-18)32-5-7-36(34,35)8-6-32)11-20(14-29-15)31-23(33)16-3-2-4-19(10-16)24(25,26)27;1-14-5-6-19(30-23(33)15-3-2-4-18(8-15)24(25,26)27)9-21(14)17-7-16(10-28)22(29-11-17)31-12-20(32)13-31;1-3-9-29-22-17(13-28)10-18(14-30-22)21-12-20(8-7-15(21)2)31-23(32)16-5-4-6-19(11-16)24(25,26)27;1-13-6-7-18(10-19(13)16-8-15(11-26)21(30-2)27-12-16)28-20(29)14-4-3-5-17(9-14)22(23,24)25/h2-6,11-13,15,21H,7-10H2,1H3,(H,31,32)(H,33,34);2-6,11-13,15H,7-10H2,1H3,(H,31,33);2-4,9-11,13-14H,5-8H2,1H3,(H,31,33);2-9,11,20,32H,12-13H2,1H3,(H,30,33);4-8,10-12,14H,3,9H2,1-2H3,(H,29,30)(H,31,32);3-10,12H,1-2H3,(H,28,29)
• InChIKey: GSZHDBOIVBOUNP-UHFFFAOYSA-N
• XLogP: 30.27
• TPSA: 523.41 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2764.74
LogP ≤ 5	30.27
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-cyano-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-methoxy-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[5-[5-cyano-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-methoxy-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide (CID 158356876) is N-[5-[5-cyano-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-methoxy-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[5-[5-cyano-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-methoxy-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[5-[5-cyano-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-methoxy-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide is CCCNc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)cc1C#N.COc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)cc1C#N.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N2CC(O)C2)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(NC2CCOCC2)c(C#N)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N2CCS(=O)(=O)CC2)c(C#N)c1.

What is the InChIKey of N-[5-[5-cyano-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-methoxy-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?

The InChIKey is GSZHDBOIVBOUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O2.C25H21F3N4O2.C24H20F3N5O3S.C24H19F3N4O2.C24H21F3N4O.C22H16F3N3O2/c1-16-5-6-22(33-25(34)17-3-2-4-20(12-17)26(27,28)29)13-23(16)19-11-18(14-30)24(31-15-19)32-21-7-9-35-10-8-21;1-16-5-6-21(31-24(33)17-3-2-4-20(12-17)25(26,27)28)13-22(16)19-11-18(14-29)23(30-15-19)32-7-9-34-10-8-32;1-15-21(18-9-17(12-28)22(30-13-18)32-5-7-36(34,35)8-6-32)11-20(14-29-15)31-23(33)16-3-2-4-19(10-16)24(25,26)27;1-14-5-6-19(30-23(33)15-3-2-4-18(8-15)24(25,26)27)9-21(14)17-7-16(10-28)22(29-11-17)31-12-20(32)13-31;1-3-9-29-22-17(13-28)10-18(14-30-22)21-12-20(8-7-15(21)2)31-23(32)16-5-4-6-19(11-16)24(25,26)27;1-13-6-7-18(10-19(13)16-8-15(11-26)21(30-2)27-12-16)28-20(29)14-4-3-5-17(9-14)22(23,24)25/h2-6,11-13,15,21H,7-10H2,1H3,(H,31,32)(H,33,34);2-6,11-13,15H,7-10H2,1H3,(H,31,33);2-4,9-11,13-14H,5-8H2,1H3,(H,31,33);2-9,11,20,32H,12-13H2,1H3,(H,30,33);4-8,10-12,14H,3,9H2,1-2H3,(H,29,30)(H,31,32);3-10,12H,1-2H3,(H,28,29).

What are the key properties of N-[5-[5-cyano-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-methoxy-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?

N-[5-[5-cyano-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-methoxy-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 2764.74 g/mol, XLogP of 30.27, 27 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-cyano-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-methoxy-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 158356876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).