5-tert-butyl-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;2-chloro-3-(1-cyanocyclopropyl)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]benzamide;5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;3-[(dimethylamino)methyl]-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide

C116H135ClF3N25O12 — CID 159063175

About 5-tert-butyl-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;2-chloro-3-(1-cyanocyclopropyl)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]benzamide;5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;3-[(dimethylamino)methyl]-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide

5-tert-butyl-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;2-chloro-3-(1-cyanocyclopropyl)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]benzamide;5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;3-[(dimethylamino)methyl]-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide (PubChem CID 159063175) has the molecular formula C116H135ClF3N25O12 and a molecular weight of 2163.97 g/mol. Its IUPAC name is 5-tert-butyl-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;2-chloro-3-(1-cyanocyclopropyl)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]benzamide;5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;3-[(dimethylamino)methyl]-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;2-chloro-3-(1-cyanocyclopropyl)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]benzamide;5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;3-[(dimethylamino)methyl]-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide
• PubChem CID: 159063175
• Molecular Formula: C116H135ClF3N25O12
• Molecular Weight: 2163.97 g/mol
• Exact Mass: 2162.04
• IUPAC Name: 5-tert-butyl-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;2-chloro-3-(1-cyanocyclopropyl)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]benzamide;5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;3-[(dimethylamino)methyl]-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide
• SMILES: Cc1ccc(NC(=O)c2cc(CN(C)C)cc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cccc(C3(C#N)CC3)c2Cl)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cncc(C(C)(C)C)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cncc(N(C)C)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1
• InChI: InChI=1S/C30H31ClN6O3.C30H35F3N6O3.C29H36N6O3.C27H33N7O3/c1-20-5-6-21(33-28(38)22-3-2-4-24(27(22)31)30(19-32)7-8-30)17-23(20)25-18-26(36-9-13-39-14-10-36)35-29(34-25)37-11-15-40-16-12-37;1-20-4-5-24(34-28(40)22-14-21(19-37(2)3)15-23(16-22)30(31,32)33)17-25(20)26-18-27(38-6-10-41-11-7-38)36-29(35-26)39-8-12-42-13-9-39;1-20-5-6-23(31-27(36)21-15-22(19-30-18-21)29(2,3)4)16-24(20)25-17-26(34-7-11-37-12-8-34)33-28(32-25)35-9-13-38-14-10-35;1-19-4-5-21(29-26(35)20-14-22(32(2)3)18-28-17-20)15-23(19)24-16-25(33-6-10-36-11-7-33)31-27(30-24)34-8-12-37-13-9-34/h2-6,17-18H,7-16H2,1H3,(H,33,38);4-5,14-18H,6-13,19H2,1-3H3,(H,34,40);5-6,15-19H,7-14H2,1-4H3,(H,31,36);4-5,14-18H,6-13H2,1-3H3,(H,29,35)
• InChIKey: JYSNHVRILOGIEG-UHFFFAOYSA-N
• XLogP: 15.95
• TPSA: 375.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 24
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2163.97
LogP ≤ 5	15.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;2-chloro-3-(1-cyanocyclopropyl)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]benzamide;5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;3-[(dimethylamino)methyl]-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide?

The IUPAC name of 5-tert-butyl-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;2-chloro-3-(1-cyanocyclopropyl)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]benzamide;5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;3-[(dimethylamino)methyl]-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide (CID 159063175) is 5-tert-butyl-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;2-chloro-3-(1-cyanocyclopropyl)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]benzamide;5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;3-[(dimethylamino)methyl]-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide.

What is the SMILES notation for 5-tert-butyl-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;2-chloro-3-(1-cyanocyclopropyl)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]benzamide;5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;3-[(dimethylamino)methyl]-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide?

The canonical SMILES for 5-tert-butyl-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;2-chloro-3-(1-cyanocyclopropyl)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]benzamide;5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;3-[(dimethylamino)methyl]-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cc(CN(C)C)cc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cccc(C3(C#N)CC3)c2Cl)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cncc(C(C)(C)C)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cncc(N(C)C)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1.

What is the InChIKey of 5-tert-butyl-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;2-chloro-3-(1-cyanocyclopropyl)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]benzamide;5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;3-[(dimethylamino)methyl]-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide?

The InChIKey is JYSNHVRILOGIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN6O3.C30H35F3N6O3.C29H36N6O3.C27H33N7O3/c1-20-5-6-21(33-28(38)22-3-2-4-24(27(22)31)30(19-32)7-8-30)17-23(20)25-18-26(36-9-13-39-14-10-36)35-29(34-25)37-11-15-40-16-12-37;1-20-4-5-24(34-28(40)22-14-21(19-37(2)3)15-23(16-22)30(31,32)33)17-25(20)26-18-27(38-6-10-41-11-7-38)36-29(35-26)39-8-12-42-13-9-39;1-20-5-6-23(31-27(36)21-15-22(19-30-18-21)29(2,3)4)16-24(20)25-17-26(34-7-11-37-12-8-34)33-28(32-25)35-9-13-38-14-10-35;1-19-4-5-21(29-26(35)20-14-22(32(2)3)18-28-17-20)15-23(19)24-16-25(33-6-10-36-11-7-33)31-27(30-24)34-8-12-37-13-9-34/h2-6,17-18H,7-16H2,1H3,(H,33,38);4-5,14-18H,6-13,19H2,1-3H3,(H,34,40);5-6,15-19H,7-14H2,1-4H3,(H,31,36);4-5,14-18H,6-13H2,1-3H3,(H,29,35).

What are the key properties of 5-tert-butyl-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;2-chloro-3-(1-cyanocyclopropyl)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]benzamide;5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;3-[(dimethylamino)methyl]-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide?

5-tert-butyl-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;2-chloro-3-(1-cyanocyclopropyl)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]benzamide;5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;3-[(dimethylamino)methyl]-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide has a molecular weight of 2163.97 g/mol, XLogP of 15.95, 24 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;2-chloro-3-(1-cyanocyclopropyl)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]benzamide;5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide;3-[(dimethylamino)methyl]-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 159063175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).