3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-N,N-dimethylprop-2-yn-1-amine;N-[3-[2-[3-(dimethylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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

C62H68BClF6N10O6 — CID 165013345

About 3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-N,N-dimethylprop-2-yn-1-amine;N-[3-[2-[3-(dimethylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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

3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-N,N-dimethylprop-2-yn-1-amine;N-[3-[2-[3-(dimethylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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 (PubChem CID 165013345) has the molecular formula C62H68BClF6N10O6 and a molecular weight of 1209.54 g/mol. Its IUPAC name is 3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-N,N-dimethylprop-2-yn-1-amine;N-[3-[2-[3-(dimethylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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.

Molecular Properties

• Compound Name: 3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-N,N-dimethylprop-2-yn-1-amine;N-[3-[2-[3-(dimethylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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
• PubChem CID: 165013345
• Molecular Formula: C62H68BClF6N10O6
• Molecular Weight: 1209.54 g/mol
• Exact Mass: 1208.50
• IUPAC Name: 3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-N,N-dimethylprop-2-yn-1-amine;N-[3-[2-[3-(dimethylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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
• SMILES: CN(C)CC#Cc1cc(Cl)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C#CCN(C)C)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C28H28F3N5O2.C20H22BF3N2O3.C14H18ClN3O/c1-19-6-7-23(34-27(37)20-8-9-32-25(16-20)28(29,30)31)18-24(19)21-15-22(5-4-10-35(2)3)33-26(17-21)36-11-13-38-14-12-36;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;1-17(2)5-3-4-13-10-12(15)11-14(16-13)18-6-8-19-9-7-18/h6-9,15-18H,10-14H2,1-3H3,(H,34,37);6-11H,1-5H3,(H,26,27);10-11H,5-9H2,1-2H3
• InChIKey: KALZLUPHGZYWAB-UHFFFAOYSA-N
• XLogP: 9.92
• TPSA: 159.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1209.54
LogP ≤ 5	9.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

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 3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-N,N-dimethylprop-2-yn-1-amine;N-[3-[2-[3-(dimethylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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?

The IUPAC name of 3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-N,N-dimethylprop-2-yn-1-amine;N-[3-[2-[3-(dimethylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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 (CID 165013345) is 3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-N,N-dimethylprop-2-yn-1-amine;N-[3-[2-[3-(dimethylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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.

What is the SMILES notation for 3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-N,N-dimethylprop-2-yn-1-amine;N-[3-[2-[3-(dimethylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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?

The canonical SMILES for 3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-N,N-dimethylprop-2-yn-1-amine;N-[3-[2-[3-(dimethylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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 is CN(C)CC#Cc1cc(Cl)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C#CCN(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 3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-N,N-dimethylprop-2-yn-1-amine;N-[3-[2-[3-(dimethylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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?

The InChIKey is KALZLUPHGZYWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N5O2.C20H22BF3N2O3.C14H18ClN3O/c1-19-6-7-23(34-27(37)20-8-9-32-25(16-20)28(29,30)31)18-24(19)21-15-22(5-4-10-35(2)3)33-26(17-21)36-11-13-38-14-12-36;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;1-17(2)5-3-4-13-10-12(15)11-14(16-13)18-6-8-19-9-7-18/h6-9,15-18H,10-14H2,1-3H3,(H,34,37);6-11H,1-5H3,(H,26,27);10-11H,5-9H2,1-2H3.

What are the key properties of 3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-N,N-dimethylprop-2-yn-1-amine;N-[3-[2-[3-(dimethylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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?

3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-N,N-dimethylprop-2-yn-1-amine;N-[3-[2-[3-(dimethylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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 has a molecular weight of 1209.54 g/mol, XLogP of 9.92, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-N,N-dimethylprop-2-yn-1-amine;N-[3-[2-[3-(dimethylamino)prop-1-ynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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 is sourced from PubChem (CID 165013345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).