tert-butyl N-but-3-yn-2-ylcarbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]carbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]but-3-yn-2-yl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C108H133BCl4F6N16O16 — CID 165010621

About tert-butyl N-but-3-yn-2-ylcarbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]carbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]but-3-yn-2-yl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

tert-butyl N-but-3-yn-2-ylcarbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]carbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]but-3-yn-2-yl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 165010621) has the molecular formula C108H133BCl4F6N16O16 and a molecular weight of 2177.96 g/mol. Its IUPAC name is tert-butyl N-but-3-yn-2-ylcarbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]carbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]but-3-yn-2-yl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: tert-butyl N-but-3-yn-2-ylcarbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]carbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]but-3-yn-2-yl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• PubChem CID: 165010621
• Molecular Formula: C108H133BCl4F6N16O16
• Molecular Weight: 2177.96 g/mol
• Exact Mass: 2174.88
• IUPAC Name: tert-butyl N-but-3-yn-2-ylcarbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]carbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]but-3-yn-2-yl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• SMILES: C#CC(C)NC(=O)OC(C)(C)C.CC(C#Cc1cc(Cl)cc(N2CCOCC2)n1)N(C)C(=O)OC(C)(C)C.CC(C#Cc1cc(Cl)cc(N2CCOCC2)n1)NC(=O)OC(C)(C)C.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C#CC(C)N(C)C(=O)OC(C)(C)C)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(Cl)nc(N2CCOCC2)c1
• InChI: InChI=1S/C33H36F3N5O4.C20H22BF3N2O3.C19H26ClN3O3.C18H24ClN3O3.C9H10Cl2N2O.C9H15NO2/c1-21-7-9-26(39-30(42)23-11-12-37-28(18-23)33(34,35)36)20-27(21)24-17-25(38-29(19-24)41-13-15-44-16-14-41)10-8-22(2)40(6)31(43)45-32(3,4)5;1-12-6-7-14(11-15(12)21-28-18(2,3)19(4,5)29-21)26-17(27)13-8-9-25-16(10-13)20(22,23)24;1-14(22(5)18(24)26-19(2,3)4)6-7-16-12-15(20)13-17(21-16)23-8-10-25-11-9-23;1-13(20-17(23)25-18(2,3)4)5-6-15-11-14(19)12-16(21-15)22-7-9-24-10-8-22;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;1-6-7(2)10-8(11)12-9(3,4)5/h7,9,11-12,17-20,22H,13-16H2,1-6H3,(H,39,42);6-11H,1-5H3,(H,26,27);12-14H,8-11H2,1-5H3;11-13H,7-10H2,1-4H3,(H,20,23);5-6H,1-4H2;1,7H,2-5H3,(H,10,11)
• InChIKey: JQLYTNWVVZNNCG-UHFFFAOYSA-N
• XLogP: 19.90
• TPSA: 339.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2177.96
LogP ≤ 5	19.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-but-3-yn-2-ylcarbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]carbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]but-3-yn-2-yl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The IUPAC name of tert-butyl N-but-3-yn-2-ylcarbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]carbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]but-3-yn-2-yl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 165010621) is tert-butyl N-but-3-yn-2-ylcarbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]carbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]but-3-yn-2-yl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

What is the SMILES notation for tert-butyl N-but-3-yn-2-ylcarbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]carbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]but-3-yn-2-yl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The canonical SMILES for tert-butyl N-but-3-yn-2-ylcarbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]carbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]but-3-yn-2-yl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is C#CC(C)NC(=O)OC(C)(C)C.CC(C#Cc1cc(Cl)cc(N2CCOCC2)n1)N(C)C(=O)OC(C)(C)C.CC(C#Cc1cc(Cl)cc(N2CCOCC2)n1)NC(=O)OC(C)(C)C.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C#CC(C)N(C)C(=O)OC(C)(C)C)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(Cl)nc(N2CCOCC2)c1.

What is the InChIKey of tert-butyl N-but-3-yn-2-ylcarbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]carbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]but-3-yn-2-yl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The InChIKey is JQLYTNWVVZNNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36F3N5O4.C20H22BF3N2O3.C19H26ClN3O3.C18H24ClN3O3.C9H10Cl2N2O.C9H15NO2/c1-21-7-9-26(39-30(42)23-11-12-37-28(18-23)33(34,35)36)20-27(21)24-17-25(38-29(19-24)41-13-15-44-16-14-41)10-8-22(2)40(6)31(43)45-32(3,4)5;1-12-6-7-14(11-15(12)21-28-18(2,3)19(4,5)29-21)26-17(27)13-8-9-25-16(10-13)20(22,23)24;1-14(22(5)18(24)26-19(2,3)4)6-7-16-12-15(20)13-17(21-16)23-8-10-25-11-9-23;1-13(20-17(23)25-18(2,3)4)5-6-15-11-14(19)12-16(21-15)22-7-9-24-10-8-22;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;1-6-7(2)10-8(11)12-9(3,4)5/h7,9,11-12,17-20,22H,13-16H2,1-6H3,(H,39,42);6-11H,1-5H3,(H,26,27);12-14H,8-11H2,1-5H3;11-13H,7-10H2,1-4H3,(H,20,23);5-6H,1-4H2;1,7H,2-5H3,(H,10,11).

What are the key properties of tert-butyl N-but-3-yn-2-ylcarbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]carbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]but-3-yn-2-yl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

tert-butyl N-but-3-yn-2-ylcarbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]carbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]but-3-yn-2-yl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 2177.96 g/mol, XLogP of 19.90, 14 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-but-3-yn-2-ylcarbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]carbamate;tert-butyl N-[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)but-3-yn-2-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]but-3-yn-2-yl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 165010621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).