2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide

C120H116F5N29O12 — CID 157122802

About 2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide

2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide (PubChem CID 157122802) has the molecular formula C120H116F5N29O12 and a molecular weight of 2251.43 g/mol. Its IUPAC name is 2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide
• PubChem CID: 157122802
• Molecular Formula: C120H116F5N29O12
• Molecular Weight: 2251.43 g/mol
• Exact Mass: 2249.93
• IUPAC Name: 2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide
• SMILES: COCCNc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)O)c3)ccc2C)cc1C#N.COCCNc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)O)c3)cnc2C)cc1C#N.COCCNc1ncc(-c2cc(NC(=O)c3ccnc(C(F)F)c3)cnc2C)cc1C#N.COCCNc1ncc(-c2cc(NC(=O)c3ccnc(C4(C#N)CC4)c3)cnc2C)cc1C#N.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(N2CC(C)(O)C2)c(C#N)c1
• InChI: InChI=1S/C25H23N7O2.C25H27N5O3.C24H20F3N5O2.C24H26N6O3.C22H20F2N6O2/c1-16-21(19-9-18(12-26)23(31-13-19)29-7-8-34-2)11-20(14-30-16)32-24(33)17-3-6-28-22(10-17)25(15-27)4-5-25;1-16-5-6-20(30-24(31)17-7-8-27-22(12-17)25(2,3)32)13-21(16)19-11-18(14-26)23(29-15-19)28-9-10-33-4;1-14-3-4-18(31-22(33)15-5-6-29-20(8-15)24(25,26)27)9-19(14)17-7-16(10-28)21(30-11-17)32-12-23(2,34)13-32;1-15-20(18-9-17(12-25)22(29-13-18)27-7-8-33-4)11-19(14-28-15)30-23(31)16-5-6-26-21(10-16)24(2,3)32;1-13-18(16-7-15(10-25)21(29-11-16)27-5-6-32-2)9-17(12-28-13)30-22(31)14-3-4-26-19(8-14)20(23)24/h3,6,9-11,13-14H,4-5,7-8H2,1-2H3,(H,29,31)(H,32,33);5-8,11-13,15,32H,9-10H2,1-4H3,(H,28,29)(H,30,31);3-9,11,34H,12-13H2,1-2H3,(H,31,33);5-6,9-11,13-14,32H,7-8H2,1-4H3,(H,27,29)(H,30,31);3-4,7-9,11-12,20H,5-6H2,1-2H3,(H,27,29)(H,30,31)
• InChIKey: AIEATQGEDRWLSM-UHFFFAOYSA-N
• XLogP: 18.84
• TPSA: 604.78 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 36
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2251.43
LogP ≤ 5	18.84
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 2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide?

The IUPAC name of 2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide (CID 157122802) is 2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide.

What is the SMILES notation for 2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide?

The canonical SMILES for 2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide is COCCNc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)O)c3)ccc2C)cc1C#N.COCCNc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)O)c3)cnc2C)cc1C#N.COCCNc1ncc(-c2cc(NC(=O)c3ccnc(C(F)F)c3)cnc2C)cc1C#N.COCCNc1ncc(-c2cc(NC(=O)c3ccnc(C4(C#N)CC4)c3)cnc2C)cc1C#N.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(N2CC(C)(O)C2)c(C#N)c1.

What is the InChIKey of 2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide?

The InChIKey is AIEATQGEDRWLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2.C25H27N5O3.C24H20F3N5O2.C24H26N6O3.C22H20F2N6O2/c1-16-21(19-9-18(12-26)23(31-13-19)29-7-8-34-2)11-20(14-30-16)32-24(33)17-3-6-28-22(10-17)25(15-27)4-5-25;1-16-5-6-20(30-24(31)17-7-8-27-22(12-17)25(2,3)32)13-21(16)19-11-18(14-26)23(29-15-19)28-9-10-33-4;1-14-3-4-18(31-22(33)15-5-6-29-20(8-15)24(25,26)27)9-19(14)17-7-16(10-28)21(30-11-17)32-12-23(2,34)13-32;1-15-20(18-9-17(12-25)22(29-13-18)27-7-8-33-4)11-19(14-28-15)30-23(31)16-5-6-26-21(10-16)24(2,3)32;1-13-18(16-7-15(10-25)21(29-11-16)27-5-6-32-2)9-17(12-28-13)30-22(31)14-3-4-26-19(8-14)20(23)24/h3,6,9-11,13-14H,4-5,7-8H2,1-2H3,(H,29,31)(H,32,33);5-8,11-13,15,32H,9-10H2,1-4H3,(H,28,29)(H,30,31);3-9,11,34H,12-13H2,1-2H3,(H,31,33);5-6,9-11,13-14,32H,7-8H2,1-4H3,(H,27,29)(H,30,31);3-4,7-9,11-12,20H,5-6H2,1-2H3,(H,27,29)(H,30,31).

What are the key properties of 2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide?

2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide has a molecular weight of 2251.43 g/mol, XLogP of 18.84, 36 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 157122802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).