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

C154H151F5N34O14 — CID 159000822

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

2-(1-cyanocyclopropyl)-N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)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;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 159000822) has the molecular formula C154H151F5N34O14 and a molecular weight of 2797.12 g/mol. Its IUPAC name is 2-(1-cyanocyclopropyl)-N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)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;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)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-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)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;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• PubChem CID: 159000822
• Molecular Formula: C154H151F5N34O14
• Molecular Weight: 2797.12 g/mol
• Exact Mass: 2795.21
• IUPAC Name: 2-(1-cyanocyclopropyl)-N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)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;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• SMILES: COCCNc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)ccc2C)cc1C#N.COCCNc1ncc(-c2cc(NC(=O)c3ccnc(C4(C#N)CC4)c3)ccc2C)cc1C#N.Cc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cnc(NC2CCOCC2)c(C#N)c1.Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cnc(NC2CCOCC2)c(C#N)c1.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(NC2CCOCC2)c(C#N)c1
• InChI: InChI=1S/C27H29N5O3.C26H28N6O3.C26H24N6O2.C26H26N6O2.C25H23F2N5O2.C24H21F3N6O2/c1-17-4-5-22(32-26(33)18-6-9-29-24(13-18)27(2,3)34)14-23(17)20-12-19(15-28)25(30-16-20)31-21-7-10-35-11-8-21;1-16-22(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;1-17-5-6-21(32-25(33)18-7-8-29-23(12-18)26(2,3)16-28)13-22(17)20-11-19(14-27)24(31-15-20)30-9-10-34-4;1-15-2-3-20(32-25(33)16-4-7-29-22(11-16)23(26)27)12-21(15)18-10-17(13-28)24(30-14-18)31-19-5-8-34-9-6-19;1-14-20(17-8-16(11-28)22(31-12-17)32-18-3-6-35-7-4-18)10-19(13-30-14)33-23(34)15-2-5-29-21(9-15)24(25,26)27/h4-6,9,12-14,16,21,34H,7-8,10-11H2,1-3H3,(H,30,31)(H,32,33);4,7,10-12,14-15,20,34H,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);5-8,11-13,15H,9-10H2,1-4H3,(H,30,31)(H,32,33);2-4,7,10-12,14,19,23H,5-6,8-9H2,1H3,(H,30,31)(H,32,33);2,5,8-10,12-13,18H,3-4,6-7H2,1H3,(H,31,32)(H,33,34)
• InChIKey: JRHWSTJJAFKNGS-UHFFFAOYSA-N
• XLogP: 26.49
• TPSA: 713.40 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 42
• Rotatable Bonds: 39
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2797.12
LogP ≤ 5	26.49
H-Bond Donors ≤ 5	14
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-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)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;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)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-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)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;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 159000822) is 2-(1-cyanocyclopropyl)-N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)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;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)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-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)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;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)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-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)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;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide is COCCNc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)ccc2C)cc1C#N.COCCNc1ncc(-c2cc(NC(=O)c3ccnc(C4(C#N)CC4)c3)ccc2C)cc1C#N.Cc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cnc(NC2CCOCC2)c(C#N)c1.Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cnc(NC2CCOCC2)c(C#N)c1.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(NC2CCOCC2)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-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)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;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The InChIKey is JRHWSTJJAFKNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3.C26H28N6O3.C26H24N6O2.C26H26N6O2.C25H23F2N5O2.C24H21F3N6O2/c1-17-4-5-22(32-26(33)18-6-9-29-24(13-18)27(2,3)34)14-23(17)20-12-19(15-28)25(30-16-20)31-21-7-10-35-11-8-21;1-16-22(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;1-17-5-6-21(32-25(33)18-7-8-29-23(12-18)26(2,3)16-28)13-22(17)20-11-19(14-27)24(31-15-20)30-9-10-34-4;1-15-2-3-20(32-25(33)16-4-7-29-22(11-16)23(26)27)12-21(15)18-10-17(13-28)24(30-14-18)31-19-5-8-34-9-6-19;1-14-20(17-8-16(11-28)22(31-12-17)32-18-3-6-35-7-4-18)10-19(13-30-14)33-23(34)15-2-5-29-21(9-15)24(25,26)27/h4-6,9,12-14,16,21,34H,7-8,10-11H2,1-3H3,(H,30,31)(H,32,33);4,7,10-12,14-15,20,34H,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);5-8,11-13,15H,9-10H2,1-4H3,(H,30,31)(H,32,33);2-4,7,10-12,14,19,23H,5-6,8-9H2,1H3,(H,30,31)(H,32,33);2,5,8-10,12-13,18H,3-4,6-7H2,1H3,(H,31,32)(H,33,34).

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

2-(1-cyanocyclopropyl)-N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)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;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 2797.12 g/mol, XLogP of 26.49, 39 rotatable bonds, 14 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-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)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;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 159000822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).