3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylsulfonylbenzamide

C128H126F9N25O12S2 — CID 159745604

About 3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylsulfonylbenzamide

3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylsulfonylbenzamide (PubChem CID 159745604) has the molecular formula C128H126F9N25O12S2 and a molecular weight of 2441.69 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylsulfonylbenzamide.

Molecular Properties

• Compound Name: 3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylsulfonylbenzamide
• PubChem CID: 159745604
• Molecular Formula: C128H126F9N25O12S2
• Molecular Weight: 2441.69 g/mol
• Exact Mass: 2439.93
• IUPAC Name: 3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylsulfonylbenzamide
• SMILES: Cc1ccc(NC(=O)c2cc(C(C)(C)N)cc(C(F)(F)F)c2)cc1-c1cnc(N2CC(C)(O)C2)c(C#N)c1.Cc1ccc(NC(=O)c2cc(C(C)(C)N)cc(C(F)(F)F)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1cnc(N(C)C)c(C#N)c1.Cc1ncc(NC(=O)c2cc(C(C)(C)N)cc(C(F)(F)F)c2)cc1-c1cnc(N2CC(C)(O)C2)c(C#N)c1.Cc1ncc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1cnc(N(C)C)c(C#N)c1
• InChI: InChI=1S/2C28H28F3N5O2.C27H27F3N6O2.C23H22N4O3S.C22H21N5O3S/c1-16-5-6-22(35-25(37)17-8-20(26(2,3)33)10-21(9-17)28(29,30)31)11-23(16)19-7-18(12-32)24(34-13-19)36-14-27(4,38)15-36;1-17-4-5-23(35-26(37)18-11-21(27(2,3)33)13-22(12-18)28(29,30)31)14-24(17)20-10-19(15-32)25(34-16-20)36-6-8-38-9-7-36;1-15-22(18-5-17(10-31)23(34-11-18)36-13-26(4,38)14-36)9-21(12-33-15)35-24(37)16-6-19(25(2,3)32)8-20(7-16)27(28,29)30;1-15-8-9-19(26-23(28)16-6-5-7-20(11-16)31(4,29)30)12-21(15)18-10-17(13-24)22(25-14-18)27(2)3;1-14-20(17-8-16(11-23)21(25-12-17)27(2)3)10-18(13-24-14)26-22(28)15-6-5-7-19(9-15)31(4,29)30/h5-11,13,38H,14-15,33H2,1-4H3,(H,35,37);4-5,10-14,16H,6-9,33H2,1-3H3,(H,35,37);5-9,11-12,38H,13-14,32H2,1-4H3,(H,35,37);5-12,14H,1-4H3,(H,26,28);5-10,12-13H,1-4H3,(H,26,28)
• InChIKey: NCZUHTKCKYASDE-UHFFFAOYSA-N
• XLogP: 21.25
• TPSA: 566.91 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 25
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2441.69
LogP ≤ 5	21.25
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylsulfonylbenzamide?

The IUPAC name of 3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylsulfonylbenzamide (CID 159745604) is 3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylsulfonylbenzamide.

What is the SMILES notation for 3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylsulfonylbenzamide?

The canonical SMILES for 3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylsulfonylbenzamide is Cc1ccc(NC(=O)c2cc(C(C)(C)N)cc(C(F)(F)F)c2)cc1-c1cnc(N2CC(C)(O)C2)c(C#N)c1.Cc1ccc(NC(=O)c2cc(C(C)(C)N)cc(C(F)(F)F)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1cnc(N(C)C)c(C#N)c1.Cc1ncc(NC(=O)c2cc(C(C)(C)N)cc(C(F)(F)F)c2)cc1-c1cnc(N2CC(C)(O)C2)c(C#N)c1.Cc1ncc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1cnc(N(C)C)c(C#N)c1.

What is the InChIKey of 3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylsulfonylbenzamide?

The InChIKey is NCZUHTKCKYASDE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H28F3N5O2.C27H27F3N6O2.C23H22N4O3S.C22H21N5O3S/c1-16-5-6-22(35-25(37)17-8-20(26(2,3)33)10-21(9-17)28(29,30)31)11-23(16)19-7-18(12-32)24(34-13-19)36-14-27(4,38)15-36;1-17-4-5-23(35-26(37)18-11-21(27(2,3)33)13-22(12-18)28(29,30)31)14-24(17)20-10-19(15-32)25(34-16-20)36-6-8-38-9-7-36;1-15-22(18-5-17(10-31)23(34-11-18)36-13-26(4,38)14-36)9-21(12-33-15)35-24(37)16-6-19(25(2,3)32)8-20(7-16)27(28,29)30;1-15-8-9-19(26-23(28)16-6-5-7-20(11-16)31(4,29)30)12-21(15)18-10-17(13-24)22(25-14-18)27(2)3;1-14-20(17-8-16(11-23)21(25-12-17)27(2)3)10-18(13-24-14)26-22(28)15-6-5-7-19(9-15)31(4,29)30/h5-11,13,38H,14-15,33H2,1-4H3,(H,35,37);4-5,10-14,16H,6-9,33H2,1-3H3,(H,35,37);5-9,11-12,38H,13-14,32H2,1-4H3,(H,35,37);5-12,14H,1-4H3,(H,26,28);5-10,12-13H,1-4H3,(H,26,28).

What are the key properties of 3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylsulfonylbenzamide?

3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylsulfonylbenzamide has a molecular weight of 2441.69 g/mol, XLogP of 21.25, 25 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 159745604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).