3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide;2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide

C168H191F7N30O21S — CID 158501492

About 3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide;2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide

3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide;2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide (PubChem CID 158501492) has the molecular formula C168H191F7N30O21S and a molecular weight of 3131.62 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide;2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

• Compound Name: 3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide;2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide
• PubChem CID: 158501492
• Molecular Formula: C168H191F7N30O21S
• Molecular Weight: 3131.62 g/mol
• Exact Mass: 3129.44
• IUPAC Name: 3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide;2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide
• SMILES: CCn1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)nc(N4CCOCC4)c3)c2)cc(C(F)(F)F)c1=O.Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1
• InChI: InChI=1S/C29H32F3N5O4.C29H35N5O3.C28H30F2N4O3.C28H34N6O3.C27H29F2N5O3.C27H31N5O5S/c1-3-35-18-21(14-24(28(35)39)29(30,31)32)27(38)33-22-5-4-19(2)23(17-22)20-15-25(36-6-10-40-11-7-36)34-26(16-20)37-8-12-41-13-9-37;1-20(2)26-16-22(6-7-30-26)29(35)31-24-5-4-21(3)25(19-24)23-17-27(33-8-12-36-13-9-33)32-28(18-23)34-10-14-37-15-11-34;1-19-5-6-23(31-28(35)21-4-2-3-20(15-21)27(29)30)18-24(19)22-16-25(33-7-11-36-12-8-33)32-26(17-22)34-9-13-37-14-10-34;1-19(2)25-14-21(4-5-29-25)28(35)31-23-17-24(20(3)30-18-23)22-15-26(33-6-10-36-11-7-33)32-27(16-22)34-8-12-37-13-9-34;1-18-2-3-21(31-27(35)19-4-5-30-23(14-19)26(28)29)17-22(18)20-15-24(33-6-10-36-11-7-33)32-25(16-20)34-8-12-37-13-9-34;1-19-3-4-22(29-27(33)20-5-6-28-26(17-20)38(2,34)35)18-23(19)21-15-24(31-7-11-36-12-8-31)30-25(16-21)32-9-13-37-14-10-32/h4-5,14-18H,3,6-13H2,1-2H3,(H,33,38);4-7,16-20H,8-15H2,1-3H3,(H,31,35);2-6,15-18,27H,7-14H2,1H3,(H,31,35);4-5,14-19H,6-13H2,1-3H3,(H,31,35);2-5,14-17,26H,6-13H2,1H3,(H,31,35);3-6,15-18H,7-14H2,1-2H3,(H,29,33)
• InChIKey: HJYHVAVYBCSJQJ-UHFFFAOYSA-N
• XLogP: 24.60
• TPSA: 522.17 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 45
• Rotatable Bonds: 36
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3131.62
LogP ≤ 5	24.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide;2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide?

The IUPAC name of 3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide;2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide (CID 158501492) is 3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide;2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide.

What is the SMILES notation for 3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide;2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide?

The canonical SMILES for 3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide;2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide is CCn1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)nc(N4CCOCC4)c3)c2)cc(C(F)(F)F)c1=O.Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1.

What is the InChIKey of 3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide;2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide?

The InChIKey is HJYHVAVYBCSJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N5O4.C29H35N5O3.C28H30F2N4O3.C28H34N6O3.C27H29F2N5O3.C27H31N5O5S/c1-3-35-18-21(14-24(28(35)39)29(30,31)32)27(38)33-22-5-4-19(2)23(17-22)20-15-25(36-6-10-40-11-7-36)34-26(16-20)37-8-12-41-13-9-37;1-20(2)26-16-22(6-7-30-26)29(35)31-24-5-4-21(3)25(19-24)23-17-27(33-8-12-36-13-9-33)32-28(18-23)34-10-14-37-15-11-34;1-19-5-6-23(31-28(35)21-4-2-3-20(15-21)27(29)30)18-24(19)22-16-25(33-7-11-36-12-8-33)32-26(17-22)34-9-13-37-14-10-34;1-19(2)25-14-21(4-5-29-25)28(35)31-23-17-24(20(3)30-18-23)22-15-26(33-6-10-36-11-7-33)32-27(16-22)34-8-12-37-13-9-34;1-18-2-3-21(31-27(35)19-4-5-30-23(14-19)26(28)29)17-22(18)20-15-24(33-6-10-36-11-7-33)32-25(16-20)34-8-12-37-13-9-34;1-19-3-4-22(29-27(33)20-5-6-28-26(17-20)38(2,34)35)18-23(19)21-15-24(31-7-11-36-12-8-31)30-25(16-21)32-9-13-37-14-10-32/h4-5,14-18H,3,6-13H2,1-2H3,(H,33,38);4-7,16-20H,8-15H2,1-3H3,(H,31,35);2-6,15-18,27H,7-14H2,1H3,(H,31,35);4-5,14-19H,6-13H2,1-3H3,(H,31,35);2-5,14-17,26H,6-13H2,1H3,(H,31,35);3-6,15-18H,7-14H2,1-2H3,(H,29,33).

What are the key properties of 3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide;2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide?

3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide;2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide has a molecular weight of 3131.62 g/mol, XLogP of 24.60, 36 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide;2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 158501492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).