6-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(6-fluoro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C121H126F6N28O12 — CID 158163297

About 6-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(6-fluoro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide

6-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(6-fluoro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 158163297) has the molecular formula C121H126F6N28O12 and a molecular weight of 2278.51 g/mol. Its IUPAC name is 6-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(6-fluoro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(6-fluoro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• PubChem CID: 158163297
• Molecular Formula: C121H126F6N28O12
• Molecular Weight: 2278.51 g/mol
• Exact Mass: 2277.00
• IUPAC Name: 6-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(6-fluoro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• SMILES: Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cncc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cnc(F)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cncc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cncc(N2CCOCC2)c1
• InChI: InChI=1S/C26H30FN5O4.C25H26N6O2.C24H25F2N5O2.C24H25N7O2.C22H20F3N5O2/c1-17-21(19-12-22(32-6-9-35-10-7-32)25(30-15-19)36-11-8-33)14-20(16-29-17)31-24(34)18-4-5-28-23(13-18)26(2,3)27;1-17-22(19-10-21(15-27-13-19)31-6-8-33-9-7-31)12-20(14-29-17)30-24(32)18-4-5-28-23(11-18)25(2,3)16-26;1-15-19(17-10-20(22(25)29-13-17)31-6-8-33-9-7-31)12-18(14-28-15)30-23(32)16-4-5-27-21(11-16)24(2,3)26;1-16-21(17-8-20(14-26-11-17)31-4-6-33-7-5-31)10-19(13-27-16)29-23(32)18-9-22(30-28-12-18)24(2,3)15-25;1-14-19(16-8-18(13-26-11-16)30-4-6-32-7-5-30)10-17(12-28-14)29-21(31)15-2-3-27-20(9-15)22(23,24)25/h4-5,12-16,33H,6-11H2,1-3H3,(H,31,34);4-5,10-15H,6-9H2,1-3H3,(H,30,32);4-5,10-14H,6-9H2,1-3H3,(H,30,32);8-14H,4-7H2,1-3H3,(H,29,32);2-3,8-13H,4-7H2,1H3,(H,29,31)
• InChIKey: FWNPUMRAVAFYOL-UHFFFAOYSA-N
• XLogP: 18.62
• TPSA: 491.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 27
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2278.51
LogP ≤ 5	18.62
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(6-fluoro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The IUPAC name of 6-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(6-fluoro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 158163297) is 6-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(6-fluoro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

What is the SMILES notation for 6-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(6-fluoro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The canonical SMILES for 6-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(6-fluoro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cncc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cnc(F)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cncc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cncc(N2CCOCC2)c1.

What is the InChIKey of 6-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(6-fluoro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The InChIKey is FWNPUMRAVAFYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O4.C25H26N6O2.C24H25F2N5O2.C24H25N7O2.C22H20F3N5O2/c1-17-21(19-12-22(32-6-9-35-10-7-32)25(30-15-19)36-11-8-33)14-20(16-29-17)31-24(34)18-4-5-28-23(13-18)26(2,3)27;1-17-22(19-10-21(15-27-13-19)31-6-8-33-9-7-31)12-20(14-29-17)30-24(32)18-4-5-28-23(11-18)25(2,3)16-26;1-15-19(17-10-20(22(25)29-13-17)31-6-8-33-9-7-31)12-18(14-28-15)30-23(32)16-4-5-27-21(11-16)24(2,3)26;1-16-21(17-8-20(14-26-11-17)31-4-6-33-7-5-31)10-19(13-27-16)29-23(32)18-9-22(30-28-12-18)24(2,3)15-25;1-14-19(16-8-18(13-26-11-16)30-4-6-32-7-5-30)10-17(12-28-14)29-21(31)15-2-3-27-20(9-15)22(23,24)25/h4-5,12-16,33H,6-11H2,1-3H3,(H,31,34);4-5,10-15H,6-9H2,1-3H3,(H,30,32);4-5,10-14H,6-9H2,1-3H3,(H,30,32);8-14H,4-7H2,1-3H3,(H,29,32);2-3,8-13H,4-7H2,1H3,(H,29,31).

What are the key properties of 6-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(6-fluoro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

6-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(6-fluoro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 2278.51 g/mol, XLogP of 18.62, 27 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(6-fluoro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 158163297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).