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;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C70H80BClF6N10O10 — CID 164989725

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;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

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;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 164989725) has the molecular formula C70H80BClF6N10O10 and a molecular weight of 1381.72 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;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-[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;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• PubChem CID: 164989725
• Molecular Formula: C70H80BClF6N10O10
• Molecular Weight: 1381.72 g/mol
• Exact Mass: 1380.57
• 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;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• SMILES: CN(CC#Cc1cc(Cl)cc(N2CCOCC2)n1)C(=O)OC(C)(C)C.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
• InChI: InChI=1S/C32H34F3N5O4.C20H22BF3N2O3.C18H24ClN3O3/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;1-12-6-7-14(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/h8-11,17-20H,12-16H2,1-5H3,(H,38,41);6-11H,1-5H3,(H,26,27);12-13H,7-11H2,1-4H3
• InChIKey: GRIIMJDTNTXXTR-UHFFFAOYSA-N
• XLogP: 12.53
• TPSA: 212.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1381.72
LogP ≤ 5	12.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'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;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-[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;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 164989725) 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;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-[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;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-[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;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is CN(CC#Cc1cc(Cl)cc(N2CCOCC2)n1)C(=O)OC(C)(C)C.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.

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;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The InChIKey is GRIIMJDTNTXXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N5O4.C20H22BF3N2O3.C18H24ClN3O3/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;1-12-6-7-14(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/h8-11,17-20H,12-16H2,1-5H3,(H,38,41);6-11H,1-5H3,(H,26,27);12-13H,7-11H2,1-4H3.

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;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

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;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 1381.72 g/mol, XLogP of 12.53, 10 rotatable bonds, 2 hydrogen bond donors, and 16 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;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 164989725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).