N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide

C95H91F3N26O8 — CID 158903727

About N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide

N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide (PubChem CID 158903727) has the molecular formula C95H91F3N26O8 and a molecular weight of 1781.94 g/mol. Its IUPAC name is N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide
• PubChem CID: 158903727
• Molecular Formula: C95H91F3N26O8
• Molecular Weight: 1781.94 g/mol
• Exact Mass: 1780.75
• IUPAC Name: N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide
• SMILES: COCCNc1ncc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)cnc2C)cc1C#N.Cc1cc(CC(=O)Nc2ccc(C)c(-c3cnc(N(C)C)c(C#N)c3)c2)on1.Cc1ccc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cnc(N2CC(C)(O)C2)c(C#N)c1.Cc1ccc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cnc(NC2CCOCC2)c(C#N)c1
• InChI: InChI=1S/C27H27N7O2.C26H25N7O2.C21H18F3N7O2.C21H21N5O2/c1-17-4-5-22(33-26(35)20-11-24(34-31-15-20)27(2,3)16-29)12-23(17)19-10-18(13-28)25(30-14-19)32-21-6-8-36-9-7-21;1-16-5-6-20(31-24(34)19-8-22(32-30-12-19)25(2,3)13-28)9-21(16)18-7-17(10-27)23(29-11-18)33-14-26(4,35)15-33;1-12-17(14-5-13(8-25)19(28-9-14)26-3-4-33-2)7-16(11-27-12)30-20(32)15-6-18(21(22,23)24)31-29-10-15;1-13-5-6-17(24-20(27)10-18-7-14(2)25-28-18)9-19(13)16-8-15(11-22)21(23-12-16)26(3)4/h4-5,10-12,14-15,21H,6-9H2,1-3H3,(H,30,32)(H,33,35);5-9,11-12,35H,14-15H2,1-4H3,(H,31,34);5-7,9-11H,3-4H2,1-2H3,(H,26,28)(H,30,32);5-9,12H,10H2,1-4H3,(H,24,27)
• InChIKey: JFTRKDPDIOUMJF-UHFFFAOYSA-N
• XLogP: 14.62
• TPSA: 496.19 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1781.94
LogP ≤ 5	14.62
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide?

The IUPAC name of N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide (CID 158903727) is N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide.

What is the SMILES notation for N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide?

The canonical SMILES for N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide is COCCNc1ncc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)cnc2C)cc1C#N.Cc1cc(CC(=O)Nc2ccc(C)c(-c3cnc(N(C)C)c(C#N)c3)c2)on1.Cc1ccc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cnc(N2CC(C)(O)C2)c(C#N)c1.Cc1ccc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cnc(NC2CCOCC2)c(C#N)c1.

What is the InChIKey of N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide?

The InChIKey is JFTRKDPDIOUMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2.C26H25N7O2.C21H18F3N7O2.C21H21N5O2/c1-17-4-5-22(33-26(35)20-11-24(34-31-15-20)27(2,3)16-29)12-23(17)19-10-18(13-28)25(30-14-19)32-21-6-8-36-9-7-21;1-16-5-6-20(31-24(34)19-8-22(32-30-12-19)25(2,3)13-28)9-21(16)18-7-17(10-27)23(29-11-18)33-14-26(4,35)15-33;1-12-17(14-5-13(8-25)19(28-9-14)26-3-4-33-2)7-16(11-27-12)30-20(32)15-6-18(21(22,23)24)31-29-10-15;1-13-5-6-17(24-20(27)10-18-7-14(2)25-28-18)9-19(13)16-8-15(11-22)21(23-12-16)26(3)4/h4-5,10-12,14-15,21H,6-9H2,1-3H3,(H,30,32)(H,33,35);5-9,11-12,35H,14-15H2,1-4H3,(H,31,34);5-7,9-11H,3-4H2,1-2H3,(H,26,28)(H,30,32);5-9,12H,10H2,1-4H3,(H,24,27).

What are the key properties of N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide?

N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide has a molecular weight of 1781.94 g/mol, XLogP of 14.62, 23 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 158903727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).