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

C117H115F3N32O10 — CID 158384163

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-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-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-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-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-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-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-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide (PubChem CID 158384163) has the molecular formula C117H115F3N32O10 and a molecular weight of 2186.41 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-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-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-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-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-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-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-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide
• PubChem CID: 158384163
• Molecular Formula: C117H115F3N32O10
• Molecular Weight: 2186.41 g/mol
• Exact Mass: 2184.94
• 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-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-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-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-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)c2cc(C(C)C)on2)cc1-c1cnc(N(C)C)c(C#N)c1.Cc1ccc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cnc(NC2CCOCC2)c(C#N)c1.Cc1ncc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cnc(NC2CCOCC2)c(C#N)c1
• InChI: InChI=1S/C27H27N7O2.C26H26N8O2.C22H23N5O2.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;1-16-22(18-8-17(11-27)24(30-12-18)32-20-4-6-36-7-5-20)10-21(14-29-16)33-25(35)19-9-23(34-31-13-19)26(2,3)15-28;1-13(2)20-10-19(26-29-20)22(28)25-17-7-6-14(3)18(9-17)16-8-15(11-23)21(24-12-16)27(4)5;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);8-10,12-14,20H,4-7H2,1-3H3,(H,30,32)(H,33,35);6-10,12-13H,1-5H3,(H,25,28);5-7,9-11H,3-4H2,1-2H3,(H,26,28)(H,30,32);5-9,12H,10H2,1-4H3,(H,24,27)
• InChIKey: GWDZCISVFSPEAV-UHFFFAOYSA-N
• XLogP: 19.39
• TPSA: 601.92 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 29
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2186.41
LogP ≤ 5	19.39
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

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-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-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-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-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-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-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-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide (CID 158384163) 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-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-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-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-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-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-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-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-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-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-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-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-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)c2cc(C(C)C)on2)cc1-c1cnc(N(C)C)c(C#N)c1.Cc1ccc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cnc(NC2CCOCC2)c(C#N)c1.Cc1ncc(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-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-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-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide?

The InChIKey is GWDZCISVFSPEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2.C26H26N8O2.C22H23N5O2.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;1-16-22(18-8-17(11-27)24(30-12-18)32-20-4-6-36-7-5-20)10-21(14-29-16)33-25(35)19-9-23(34-31-13-19)26(2,3)15-28;1-13(2)20-10-19(26-29-20)22(28)25-17-7-6-14(3)18(9-17)16-8-15(11-23)21(24-12-16)27(4)5;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);8-10,12-14,20H,4-7H2,1-3H3,(H,30,32)(H,33,35);6-10,12-13H,1-5H3,(H,25,28);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-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-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-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-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-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-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-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide has a molecular weight of 2186.41 g/mol, XLogP of 19.39, 29 rotatable bonds, 8 hydrogen bond donors, and 37 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-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-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-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 158384163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).