5-cyano-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2H-benzotriazole-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-fluoropyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyrazine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methyl-1,3-thiazole-4-carboxamide

C102H116FN19O15S — CID 158089234

About 5-cyano-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2H-benzotriazole-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-fluoropyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyrazine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methyl-1,3-thiazole-4-carboxamide

5-cyano-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2H-benzotriazole-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-fluoropyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyrazine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 158089234) has the molecular formula C102H116FN19O15S and a molecular weight of 1899.23 g/mol. Its IUPAC name is 5-cyano-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2H-benzotriazole-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-fluoropyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyrazine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-cyano-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2H-benzotriazole-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-fluoropyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyrazine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methyl-1,3-thiazole-4-carboxamide
• PubChem CID: 158089234
• Molecular Formula: C102H116FN19O15S
• Molecular Weight: 1899.23 g/mol
• Exact Mass: 1897.86
• IUPAC Name: 5-cyano-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2H-benzotriazole-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-fluoropyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyrazine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methyl-1,3-thiazole-4-carboxamide
• SMILES: CC1(C)Cc2cc(NC(=O)c3cccc(F)n3)c(N3CCOCC3)cc2O1.CC1(C)Cc2cc(NC(=O)c3cccc4n[nH]nc34)c(N3CCOCC3)cc2O1.Cc1cncc(C(=O)Nc2cc3c(cc2N2CCOCC2)OC(C)(C)C3)n1.Cc1nc(C(=O)Nc2cc3c(cc2N2CCOCC2)OC(C)(C)C3)ccc1C#N.Cc1nc(C(=O)Nc2cc3c(cc2N2CCOCC2)OC(C)(C)C3)cs1
• InChI: InChI=1S/C22H24N4O3.C21H23N5O3.C20H22FN3O3.C20H24N4O3.C19H23N3O3S/c1-14-15(13-23)4-5-17(24-14)21(27)25-18-10-16-12-22(2,3)29-20(16)11-19(18)26-6-8-28-9-7-26;1-21(2)12-13-10-16(17(11-18(13)29-21)26-6-8-28-9-7-26)22-20(27)14-4-3-5-15-19(14)24-25-23-15;1-20(2)12-13-10-15(23-19(25)14-4-3-5-18(21)22-14)16(11-17(13)27-20)24-6-8-26-9-7-24;1-13-11-21-12-16(22-13)19(25)23-15-8-14-10-20(2,3)27-18(14)9-17(15)24-4-6-26-7-5-24;1-12-20-15(11-26-12)18(23)21-14-8-13-10-19(2,3)25-17(13)9-16(14)22-4-6-24-7-5-22/h4-5,10-11H,6-9,12H2,1-3H3,(H,25,27);3-5,10-11H,6-9,12H2,1-2H3,(H,22,27)(H,23,24,25);3-5,10-11H,6-9,12H2,1-2H3,(H,23,25);8-9,11-12H,4-7,10H2,1-3H3,(H,23,25);8-9,11H,4-7,10H2,1-3H3,(H,21,23)
• InChIKey: FNWVZNNJPZCTAR-UHFFFAOYSA-N
• XLogP: 14.69
• TPSA: 383.81 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 15
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1899.23
LogP ≤ 5	14.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2H-benzotriazole-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-fluoropyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyrazine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methyl-1,3-thiazole-4-carboxamide?

The IUPAC name of 5-cyano-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2H-benzotriazole-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-fluoropyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyrazine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methyl-1,3-thiazole-4-carboxamide (CID 158089234) is 5-cyano-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2H-benzotriazole-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-fluoropyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyrazine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methyl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 5-cyano-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2H-benzotriazole-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-fluoropyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyrazine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methyl-1,3-thiazole-4-carboxamide?

The canonical SMILES for 5-cyano-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2H-benzotriazole-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-fluoropyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyrazine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methyl-1,3-thiazole-4-carboxamide is CC1(C)Cc2cc(NC(=O)c3cccc(F)n3)c(N3CCOCC3)cc2O1.CC1(C)Cc2cc(NC(=O)c3cccc4n[nH]nc34)c(N3CCOCC3)cc2O1.Cc1cncc(C(=O)Nc2cc3c(cc2N2CCOCC2)OC(C)(C)C3)n1.Cc1nc(C(=O)Nc2cc3c(cc2N2CCOCC2)OC(C)(C)C3)ccc1C#N.Cc1nc(C(=O)Nc2cc3c(cc2N2CCOCC2)OC(C)(C)C3)cs1.

What is the InChIKey of 5-cyano-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2H-benzotriazole-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-fluoropyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyrazine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methyl-1,3-thiazole-4-carboxamide?

The InChIKey is FNWVZNNJPZCTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3.C21H23N5O3.C20H22FN3O3.C20H24N4O3.C19H23N3O3S/c1-14-15(13-23)4-5-17(24-14)21(27)25-18-10-16-12-22(2,3)29-20(16)11-19(18)26-6-8-28-9-7-26;1-21(2)12-13-10-16(17(11-18(13)29-21)26-6-8-28-9-7-26)22-20(27)14-4-3-5-15-19(14)24-25-23-15;1-20(2)12-13-10-15(23-19(25)14-4-3-5-18(21)22-14)16(11-17(13)27-20)24-6-8-26-9-7-24;1-13-11-21-12-16(22-13)19(25)23-15-8-14-10-20(2,3)27-18(14)9-17(15)24-4-6-26-7-5-24;1-12-20-15(11-26-12)18(23)21-14-8-13-10-19(2,3)25-17(13)9-16(14)22-4-6-24-7-5-22/h4-5,10-11H,6-9,12H2,1-3H3,(H,25,27);3-5,10-11H,6-9,12H2,1-2H3,(H,22,27)(H,23,24,25);3-5,10-11H,6-9,12H2,1-2H3,(H,23,25);8-9,11-12H,4-7,10H2,1-3H3,(H,23,25);8-9,11H,4-7,10H2,1-3H3,(H,21,23).

What are the key properties of 5-cyano-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2H-benzotriazole-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-fluoropyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyrazine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methyl-1,3-thiazole-4-carboxamide?

5-cyano-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2H-benzotriazole-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-fluoropyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyrazine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 1899.23 g/mol, XLogP of 14.69, 15 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyano-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2H-benzotriazole-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-fluoropyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-methylpyrazine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158089234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).