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

C147H138F7N35O13 — CID 158755977

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

2-(1-cyanocyclopropyl)-N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide (PubChem CID 158755977) has the molecular formula C147H138F7N35O13 and a molecular weight of 2735.94 g/mol. Its IUPAC name is 2-(1-cyanocyclopropyl)-N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(1-cyanocyclopropyl)-N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide
• PubChem CID: 158755977
• Molecular Formula: C147H138F7N35O13
• Molecular Weight: 2735.94 g/mol
• Exact Mass: 2734.11
• IUPAC Name: 2-(1-cyanocyclopropyl)-N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide
• SMILES: COCCNc1ncc(-c2cc(NC(=O)c3ccnc(C(F)F)c3)ccc2C)cc1C#N.COCCNc1ncc(-c2cc(NC(=O)c3ccnc(C4(C#N)CC4)c3)ccc2C)cc1C#N.Cc1ncc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cnc(NC2CCOCC2)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(N2CC(C)(O)C2)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cnc(NC2CCOCC2)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C3CC3)c2)cc1-c1cnc(N2CC(C)(O)C2)c(C#N)c1
• InChI: InChI=1S/C26H28N6O3.C26H24N6O2.C25H24N6O2.C24H22F2N6O2.C23H19F3N6O2.C23H21F2N5O2/c1-16-22(19-10-18(13-27)24(30-14-19)31-20-5-8-35-9-6-20)12-21(15-29-16)32-25(33)17-4-7-28-23(11-17)26(2,3)34;1-17-3-4-21(32-25(33)18-5-8-29-23(12-18)26(16-28)6-7-26)13-22(17)20-11-19(14-27)24(31-15-20)30-9-10-34-2;1-15-21(19-7-18(10-26)23(29-11-19)31-13-25(2,33)14-31)9-20(12-28-15)30-24(32)17-5-6-27-22(8-17)16-3-4-16;1-14-20(17-8-16(11-27)23(30-12-17)31-18-3-6-34-7-4-18)10-19(13-29-14)32-24(33)15-2-5-28-21(9-15)22(25)26;1-13-18(16-5-15(8-27)20(30-9-16)32-11-22(2,34)12-32)7-17(10-29-13)31-21(33)14-3-4-28-19(6-14)23(24,25)26;1-14-3-4-18(30-23(31)15-5-6-27-20(10-15)21(24)25)11-19(14)17-9-16(12-26)22(29-13-17)28-7-8-32-2/h4,7,10-12,14-15,20,34H,5-6,8-9H2,1-3H3,(H,30,31)(H,32,33);3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,30,31)(H,32,33);5-9,11-12,16,33H,3-4,13-14H2,1-2H3,(H,30,32);2,5,8-10,12-13,18,22H,3-4,6-7H2,1H3,(H,30,31)(H,32,33);3-7,9-10,34H,11-12H2,1-2H3,(H,31,33);3-6,9-11,13,21H,7-8H2,1-2H3,(H,28,29)(H,30,31)
• InChIKey: IOBVECRRCUFLFL-UHFFFAOYSA-N
• XLogP: 24.03
• TPSA: 699.58 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 42
• Rotatable Bonds: 37
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2735.94
LogP ≤ 5	24.03
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	42

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

The IUPAC name of 2-(1-cyanocyclopropyl)-N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide (CID 158755977) is 2-(1-cyanocyclopropyl)-N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide.

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

The canonical SMILES for 2-(1-cyanocyclopropyl)-N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide is COCCNc1ncc(-c2cc(NC(=O)c3ccnc(C(F)F)c3)ccc2C)cc1C#N.COCCNc1ncc(-c2cc(NC(=O)c3ccnc(C4(C#N)CC4)c3)ccc2C)cc1C#N.Cc1ncc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cnc(NC2CCOCC2)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(N2CC(C)(O)C2)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cnc(NC2CCOCC2)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C3CC3)c2)cc1-c1cnc(N2CC(C)(O)C2)c(C#N)c1.

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

The InChIKey is IOBVECRRCUFLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3.C26H24N6O2.C25H24N6O2.C24H22F2N6O2.C23H19F3N6O2.C23H21F2N5O2/c1-16-22(19-10-18(13-27)24(30-14-19)31-20-5-8-35-9-6-20)12-21(15-29-16)32-25(33)17-4-7-28-23(11-17)26(2,3)34;1-17-3-4-21(32-25(33)18-5-8-29-23(12-18)26(16-28)6-7-26)13-22(17)20-11-19(14-27)24(31-15-20)30-9-10-34-2;1-15-21(19-7-18(10-26)23(29-11-19)31-13-25(2,33)14-31)9-20(12-28-15)30-24(32)17-5-6-27-22(8-17)16-3-4-16;1-14-20(17-8-16(11-27)23(30-12-17)31-18-3-6-34-7-4-18)10-19(13-29-14)32-24(33)15-2-5-28-21(9-15)22(25)26;1-13-18(16-5-15(8-27)20(30-9-16)32-11-22(2,34)12-32)7-17(10-29-13)31-21(33)14-3-4-28-19(6-14)23(24,25)26;1-14-3-4-18(30-23(31)15-5-6-27-20(10-15)21(24)25)11-19(14)17-9-16(12-26)22(29-13-17)28-7-8-32-2/h4,7,10-12,14-15,20,34H,5-6,8-9H2,1-3H3,(H,30,31)(H,32,33);3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,30,31)(H,32,33);5-9,11-12,16,33H,3-4,13-14H2,1-2H3,(H,30,32);2,5,8-10,12-13,18,22H,3-4,6-7H2,1H3,(H,30,31)(H,32,33);3-7,9-10,34H,11-12H2,1-2H3,(H,31,33);3-6,9-11,13,21H,7-8H2,1-2H3,(H,28,29)(H,30,31).

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

2-(1-cyanocyclopropyl)-N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide has a molecular weight of 2735.94 g/mol, XLogP of 24.03, 37 rotatable bonds, 13 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-cyanocyclopropyl)-N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-cyclopropylpyridine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 158755977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).