3-(2-aminopropan-2-yl)-N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-methylbenzamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylbenzamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide

C148H139F9N30O12 — CID 158655694

About 3-(2-aminopropan-2-yl)-N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-methylbenzamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylbenzamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide

3-(2-aminopropan-2-yl)-N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-methylbenzamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylbenzamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide (PubChem CID 158655694) has the molecular formula C148H139F9N30O12 and a molecular weight of 2700.92 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-methylbenzamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylbenzamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide.

Molecular Properties

• Compound Name: 3-(2-aminopropan-2-yl)-N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-methylbenzamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylbenzamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide
• PubChem CID: 158655694
• Molecular Formula: C148H139F9N30O12
• Molecular Weight: 2700.92 g/mol
• Exact Mass: 2699.10
• IUPAC Name: 3-(2-aminopropan-2-yl)-N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-methylbenzamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylbenzamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide
• SMILES: COCCNc1ncc(-c2cc(NC(=O)c3cccc(C(F)F)c3)cnc2C)cc1C#N.Cc1cccc(C(=O)Nc2ccc(C)c(-c3cnc(N4CC(C)(O)C4)c(C#N)c3)c2)c1.Cc1cccc(C(=O)Nc2cnc(C)c(-c3cnc(N4CC(C)(O)C4)c(C#N)c3)c2)c1.Cc1ncc(NC(=O)c2cc(C(C)(C)N)cc(C(F)(F)F)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1.Cc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cnc(N2CC(C)(O)C2)c(C#N)c1.Cc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cnc(NC2CCOCC2)c(C#N)c1
• InChI: InChI=1S/C27H27F3N6O2.C25H23F2N5O2.C25H24N4O2.C24H21F2N5O2.C24H23N5O2.C23H21F2N5O2/c1-16-23(19-8-18(13-31)24(34-14-19)36-4-6-38-7-5-36)12-22(15-33-16)35-25(37)17-9-20(26(2,3)32)11-21(10-17)27(28,29)30;1-15-22(19-10-18(12-28)24(30-13-19)31-20-5-7-34-8-6-20)11-21(14-29-15)32-25(33)17-4-2-3-16(9-17)23(26)27;1-16-5-4-6-18(9-16)24(30)28-21-8-7-17(2)22(11-21)20-10-19(12-26)23(27-13-20)29-14-25(3,31)15-29;1-14-20(18-7-17(9-27)22(29-10-18)31-12-24(2,33)13-31)8-19(11-28-14)30-23(32)16-5-3-4-15(6-16)21(25)26;1-15-5-4-6-17(7-15)23(30)28-20-9-21(16(2)26-12-20)19-8-18(10-25)22(27-11-19)29-13-24(3,31)14-29;1-14-20(18-9-17(11-26)22(29-12-18)27-6-7-32-2)10-19(13-28-14)30-23(31)16-5-3-4-15(8-16)21(24)25/h8-12,14-15H,4-7,32H2,1-3H3,(H,35,37);2-4,9-11,13-14,20,23H,5-8H2,1H3,(H,30,31)(H,32,33);4-11,13,31H,14-15H2,1-3H3,(H,28,30);3-8,10-11,21,33H,12-13H2,1-2H3,(H,30,32);4-9,11-12,31H,13-14H2,1-3H3,(H,28,30);3-5,8-10,12-13,21H,6-7H2,1-2H3,(H,27,29)(H,30,31)
• InChIKey: ICCKTVTVRPPLBT-UHFFFAOYSA-N
• XLogP: 25.90
• TPSA: 610.55 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 32
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2700.92
LogP ≤ 5	25.90
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 3-(2-aminopropan-2-yl)-N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-methylbenzamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylbenzamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide (CID 158655694) is 3-(2-aminopropan-2-yl)-N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-methylbenzamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylbenzamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide.

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

The canonical SMILES for 3-(2-aminopropan-2-yl)-N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-methylbenzamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylbenzamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide is COCCNc1ncc(-c2cc(NC(=O)c3cccc(C(F)F)c3)cnc2C)cc1C#N.Cc1cccc(C(=O)Nc2ccc(C)c(-c3cnc(N4CC(C)(O)C4)c(C#N)c3)c2)c1.Cc1cccc(C(=O)Nc2cnc(C)c(-c3cnc(N4CC(C)(O)C4)c(C#N)c3)c2)c1.Cc1ncc(NC(=O)c2cc(C(C)(C)N)cc(C(F)(F)F)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1.Cc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cnc(N2CC(C)(O)C2)c(C#N)c1.Cc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cnc(NC2CCOCC2)c(C#N)c1.

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

The InChIKey is ICCKTVTVRPPLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N6O2.C25H23F2N5O2.C25H24N4O2.C24H21F2N5O2.C24H23N5O2.C23H21F2N5O2/c1-16-23(19-8-18(13-31)24(34-14-19)36-4-6-38-7-5-36)12-22(15-33-16)35-25(37)17-9-20(26(2,3)32)11-21(10-17)27(28,29)30;1-15-22(19-10-18(12-28)24(30-13-19)31-20-5-7-34-8-6-20)11-21(14-29-15)32-25(33)17-4-2-3-16(9-17)23(26)27;1-16-5-4-6-18(9-16)24(30)28-21-8-7-17(2)22(11-21)20-10-19(12-26)23(27-13-20)29-14-25(3,31)15-29;1-14-20(18-7-17(9-27)22(29-10-18)31-12-24(2,33)13-31)8-19(11-28-14)30-23(32)16-5-3-4-15(6-16)21(25)26;1-15-5-4-6-17(7-15)23(30)28-20-9-21(16(2)26-12-20)19-8-18(10-25)22(27-11-19)29-13-24(3,31)14-29;1-14-20(18-9-17(11-26)22(29-12-18)27-6-7-32-2)10-19(13-28-14)30-23(31)16-5-3-4-15(8-16)21(24)25/h8-12,14-15H,4-7,32H2,1-3H3,(H,35,37);2-4,9-11,13-14,20,23H,5-8H2,1H3,(H,30,31)(H,32,33);4-11,13,31H,14-15H2,1-3H3,(H,28,30);3-8,10-11,21,33H,12-13H2,1-2H3,(H,30,32);4-9,11-12,31H,13-14H2,1-3H3,(H,28,30);3-5,8-10,12-13,21H,6-7H2,1-2H3,(H,27,29)(H,30,31).

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

3-(2-aminopropan-2-yl)-N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-methylbenzamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylbenzamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide has a molecular weight of 2700.92 g/mol, XLogP of 25.90, 32 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-aminopropan-2-yl)-N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-3-methylbenzamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylbenzamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide is sourced from PubChem (CID 158655694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).