2-tert-butyl-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C139H160F6N30O19S2 — CID 158616983

About 2-tert-butyl-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide

2-tert-butyl-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 158616983) has the molecular formula C139H160F6N30O19S2 and a molecular weight of 2733.12 g/mol. Its IUPAC name is 2-tert-butyl-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-tert-butyl-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• PubChem CID: 158616983
• Molecular Formula: C139H160F6N30O19S2
• Molecular Weight: 2733.12 g/mol
• Exact Mass: 2731.18
• IUPAC Name: 2-tert-butyl-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• SMILES: CCN1CCN(c2cc(C(=O)Nc3cnc(C)c(-c4cc(N5CCOCC5)nc(N5CC(O)C5)c4)c3)cc(C(F)(F)F)c2)CC1.Cc1ncc(NC(=O)c2cccc(C(C)(C)S(C)(=O)=O)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)c1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)c1.Cc1ncc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)c1
• InChI: InChI=1S/C32H38F3N7O3.C29H35N5O5S.C28H34N6O3.C25H25F3N6O3.C25H28N6O5S/c1-3-39-4-6-40(7-5-39)26-13-23(12-24(16-26)32(33,34)35)31(44)37-25-17-28(21(2)36-18-25)22-14-29(41-8-10-45-11-9-41)38-30(15-22)42-19-27(43)20-42;1-19-25(21-13-26(33-8-10-39-11-9-33)32-27(14-21)34-17-24(35)18-34)15-23(16-30-19)31-28(36)20-6-5-7-22(12-20)29(2,3)40(4,37)38;1-18-23(14-21(15-30-18)31-27(36)19-5-6-29-24(11-19)28(2,3)4)20-12-25(33-7-9-37-10-8-33)32-26(13-20)34-16-22(35)17-34;1-15-20(11-18(12-30-15)31-24(36)16-2-3-29-21(8-16)25(26,27)28)17-9-22(33-4-6-37-7-5-33)32-23(10-17)34-13-19(35)14-34;1-16-21(12-19(13-27-16)28-25(33)17-3-4-26-24(11-17)37(2,34)35)18-9-22(30-5-7-36-8-6-30)29-23(10-18)31-14-20(32)15-31/h12-18,27,43H,3-11,19-20H2,1-2H3,(H,37,44);5-7,12-16,24,35H,8-11,17-18H2,1-4H3,(H,31,36);5-6,11-15,22,35H,7-10,16-17H2,1-4H3,(H,31,36);2-3,8-12,19,35H,4-7,13-14H2,1H3,(H,31,36);3-4,9-13,20,32H,5-8,14-15H2,1-2H3,(H,28,33)
• InChIKey: HXMZSYHQKCEWFS-UHFFFAOYSA-N
• XLogP: 14.95
• TPSA: 567.53 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 44
• Rotatable Bonds: 30
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2733.12
LogP ≤ 5	14.95
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The IUPAC name of 2-tert-butyl-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 158616983) is 2-tert-butyl-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

What is the SMILES notation for 2-tert-butyl-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The canonical SMILES for 2-tert-butyl-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide is CCN1CCN(c2cc(C(=O)Nc3cnc(C)c(-c4cc(N5CCOCC5)nc(N5CC(O)C5)c4)c3)cc(C(F)(F)F)c2)CC1.Cc1ncc(NC(=O)c2cccc(C(C)(C)S(C)(=O)=O)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)c1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)c1.Cc1ncc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)c1.

What is the InChIKey of 2-tert-butyl-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The InChIKey is HXMZSYHQKCEWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F3N7O3.C29H35N5O5S.C28H34N6O3.C25H25F3N6O3.C25H28N6O5S/c1-3-39-4-6-40(7-5-39)26-13-23(12-24(16-26)32(33,34)35)31(44)37-25-17-28(21(2)36-18-25)22-14-29(41-8-10-45-11-9-41)38-30(15-22)42-19-27(43)20-42;1-19-25(21-13-26(33-8-10-39-11-9-33)32-27(14-21)34-17-24(35)18-34)15-23(16-30-19)31-28(36)20-6-5-7-22(12-20)29(2,3)40(4,37)38;1-18-23(14-21(15-30-18)31-27(36)19-5-6-29-24(11-19)28(2,3)4)20-12-25(33-7-9-37-10-8-33)32-26(13-20)34-16-22(35)17-34;1-15-20(11-18(12-30-15)31-24(36)16-2-3-29-21(8-16)25(26,27)28)17-9-22(33-4-6-37-7-5-33)32-23(10-17)34-13-19(35)14-34;1-16-21(12-19(13-27-16)28-25(33)17-3-4-26-24(11-17)37(2,34)35)18-9-22(30-5-7-36-8-6-30)29-23(10-18)31-14-20(32)15-31/h12-18,27,43H,3-11,19-20H2,1-2H3,(H,37,44);5-7,12-16,24,35H,8-11,17-18H2,1-4H3,(H,31,36);5-6,11-15,22,35H,7-10,16-17H2,1-4H3,(H,31,36);2-3,8-12,19,35H,4-7,13-14H2,1H3,(H,31,36);3-4,9-13,20,32H,5-8,14-15H2,1-2H3,(H,28,33).

What are the key properties of 2-tert-butyl-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

2-tert-butyl-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 2733.12 g/mol, XLogP of 14.95, 30 rotatable bonds, 10 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 158616983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).