tert-butyl N-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)prop-2-ynyl]-N-methylcarbamate;tert-butyl N-methyl-N-[3-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]prop-2-ynyl]carbamate;tert-butyl N-prop-2-ynylcarbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-[2-[3-(methylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;pent-1-yne

C119H137BCl3F9N18O15 — CID 165010321

About tert-butyl N-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)prop-2-ynyl]-N-methylcarbamate;tert-butyl N-methyl-N-[3-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]prop-2-ynyl]carbamate;tert-butyl N-prop-2-ynylcarbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-[2-[3-(methylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;pent-1-yne

tert-butyl N-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)prop-2-ynyl]-N-methylcarbamate;tert-butyl N-methyl-N-[3-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]prop-2-ynyl]carbamate;tert-butyl N-prop-2-ynylcarbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-[2-[3-(methylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;pent-1-yne (PubChem CID 165010321) has the molecular formula C119H137BCl3F9N18O15 and a molecular weight of 2347.67 g/mol. Its IUPAC name is tert-butyl N-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)prop-2-ynyl]-N-methylcarbamate;tert-butyl N-methyl-N-[3-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]prop-2-ynyl]carbamate;tert-butyl N-prop-2-ynylcarbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-[2-[3-(methylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;pent-1-yne.

Molecular Properties

• Compound Name: tert-butyl N-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)prop-2-ynyl]-N-methylcarbamate;tert-butyl N-methyl-N-[3-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]prop-2-ynyl]carbamate;tert-butyl N-prop-2-ynylcarbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-[2-[3-(methylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;pent-1-yne
• PubChem CID: 165010321
• Molecular Formula: C119H137BCl3F9N18O15
• Molecular Weight: 2347.67 g/mol
• Exact Mass: 2344.95
• IUPAC Name: tert-butyl N-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)prop-2-ynyl]-N-methylcarbamate;tert-butyl N-methyl-N-[3-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]prop-2-ynyl]carbamate;tert-butyl N-prop-2-ynylcarbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-[2-[3-(methylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;pent-1-yne
• SMILES: C#CCCC.C#CCNC(=O)OC(C)(C)C.CN(CC#Cc1cc(Cl)cc(N2CCOCC2)n1)C(=O)OC(C)(C)C.CNCC#Cc1cc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C#CCN(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/C32H34F3N5O4.C27H26F3N5O2.C20H22BF3N2O3.C18H24ClN3O3.C9H10Cl2N2O.C8H13NO2.C5H8/c1-21-8-9-25(38-29(41)22-10-11-36-27(18-22)32(33,34)35)20-26(21)23-17-24(37-28(19-23)40-13-15-43-16-14-40)7-6-12-39(5)30(42)44-31(2,3)4;1-18-5-6-22(34-26(36)19-7-9-32-24(15-19)27(28,29)30)17-23(18)20-14-21(4-3-8-31-2)33-25(16-20)35-10-12-37-13-11-35;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;1-18(2,3)25-17(23)21(4)7-5-6-15-12-14(19)13-16(20-15)22-8-10-24-11-9-22;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;1-5-6-9-7(10)11-8(2,3)4;1-3-5-4-2/h8-11,17-20H,12-16H2,1-5H3,(H,38,41);5-7,9,14-17,31H,8,10-13H2,1-2H3,(H,34,36);6-11H,1-5H3,(H,26,27);12-13H,7-11H2,1-4H3;5-6H,1-4H2;1H,6H2,2-4H3,(H,9,10);1H,4-5H2,2H3
• InChIKey: JPIVPHUVDVJFTA-UHFFFAOYSA-N
• XLogP: 21.45
• TPSA: 355.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2347.67
LogP ≤ 5	21.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

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-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)prop-2-ynyl]-N-methylcarbamate;tert-butyl N-methyl-N-[3-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]prop-2-ynyl]carbamate;tert-butyl N-prop-2-ynylcarbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-[2-[3-(methylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;pent-1-yne?

The IUPAC name of tert-butyl N-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)prop-2-ynyl]-N-methylcarbamate;tert-butyl N-methyl-N-[3-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]prop-2-ynyl]carbamate;tert-butyl N-prop-2-ynylcarbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-[2-[3-(methylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;pent-1-yne (CID 165010321) is tert-butyl N-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)prop-2-ynyl]-N-methylcarbamate;tert-butyl N-methyl-N-[3-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]prop-2-ynyl]carbamate;tert-butyl N-prop-2-ynylcarbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-[2-[3-(methylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;pent-1-yne.

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

The canonical SMILES for tert-butyl N-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)prop-2-ynyl]-N-methylcarbamate;tert-butyl N-methyl-N-[3-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]prop-2-ynyl]carbamate;tert-butyl N-prop-2-ynylcarbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-[2-[3-(methylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;pent-1-yne is C#CCCC.C#CCNC(=O)OC(C)(C)C.CN(CC#Cc1cc(Cl)cc(N2CCOCC2)n1)C(=O)OC(C)(C)C.CNCC#Cc1cc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C#CCN(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-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)prop-2-ynyl]-N-methylcarbamate;tert-butyl N-methyl-N-[3-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]prop-2-ynyl]carbamate;tert-butyl N-prop-2-ynylcarbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-[2-[3-(methylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;pent-1-yne?

The InChIKey is JPIVPHUVDVJFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N5O4.C27H26F3N5O2.C20H22BF3N2O3.C18H24ClN3O3.C9H10Cl2N2O.C8H13NO2.C5H8/c1-21-8-9-25(38-29(41)22-10-11-36-27(18-22)32(33,34)35)20-26(21)23-17-24(37-28(19-23)40-13-15-43-16-14-40)7-6-12-39(5)30(42)44-31(2,3)4;1-18-5-6-22(34-26(36)19-7-9-32-24(15-19)27(28,29)30)17-23(18)20-14-21(4-3-8-31-2)33-25(16-20)35-10-12-37-13-11-35;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;1-18(2,3)25-17(23)21(4)7-5-6-15-12-14(19)13-16(20-15)22-8-10-24-11-9-22;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;1-5-6-9-7(10)11-8(2,3)4;1-3-5-4-2/h8-11,17-20H,12-16H2,1-5H3,(H,38,41);5-7,9,14-17,31H,8,10-13H2,1-2H3,(H,34,36);6-11H,1-5H3,(H,26,27);12-13H,7-11H2,1-4H3;5-6H,1-4H2;1H,6H2,2-4H3,(H,9,10);1H,4-5H2,2H3.

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

tert-butyl N-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)prop-2-ynyl]-N-methylcarbamate;tert-butyl N-methyl-N-[3-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]prop-2-ynyl]carbamate;tert-butyl N-prop-2-ynylcarbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-[2-[3-(methylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;pent-1-yne has a molecular weight of 2347.67 g/mol, XLogP of 21.45, 18 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)prop-2-ynyl]-N-methylcarbamate;tert-butyl N-methyl-N-[3-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]prop-2-ynyl]carbamate;tert-butyl N-prop-2-ynylcarbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-[2-[3-(methylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;pent-1-yne is sourced from PubChem (CID 165010321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).