N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;2-methoxy-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C78H77BClF6N9O14 — CID 158224708

About N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;2-methoxy-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;2-methoxy-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 158224708) has the molecular formula C78H77BClF6N9O14 and a molecular weight of 1524.78 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;2-methoxy-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

• Compound Name: N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;2-methoxy-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• PubChem CID: 158224708
• Molecular Formula: C78H77BClF6N9O14
• Molecular Weight: 1524.78 g/mol
• Exact Mass: 1523.53
• IUPAC Name: N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;2-methoxy-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• SMILES: C.COc1ncc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)cc1C.COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1C.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1c[nH]c(=O)c(C)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1Cl
• InChI: InChI=1S/C24H21F2N3O4.C23H19F2N3O4.C17H13ClF2N2O3.C13H20BNO3.CH4/c1-13-4-7-19(28-20(13)15-10-14(2)21(31-3)27-12-15)29-22(30)23(8-9-23)16-5-6-17-18(11-16)33-24(25,26)32-17;1-12-3-6-18(27-19(12)14-9-13(2)20(29)26-11-14)28-21(30)22(7-8-22)15-4-5-16-17(10-15)32-23(24,25)31-16;1-9-2-5-13(21-14(9)18)22-15(23)16(6-7-16)10-3-4-11-12(8-10)25-17(19,20)24-11;1-9-7-10(8-15-11(9)16-6)14-17-12(2,3)13(4,5)18-14;/h4-7,10-12H,8-9H2,1-3H3,(H,28,29,30);3-6,9-11H,7-8H2,1-2H3,(H,26,29)(H,27,28,30);2-5,8H,6-7H2,1H3,(H,21,22,23);7-8H,1-6H3;1H4
• InChIKey: GDQSIQHGBOFYHL-UHFFFAOYSA-N
• XLogP: 15.18
• TPSA: 276.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1524.78
LogP ≤ 5	15.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;2-methoxy-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The IUPAC name of N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;2-methoxy-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 158224708) is N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;2-methoxy-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

What is the SMILES notation for N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;2-methoxy-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The canonical SMILES for N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;2-methoxy-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is C.COc1ncc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)cc1C.COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1C.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1c[nH]c(=O)c(C)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1Cl.

What is the InChIKey of N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;2-methoxy-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The InChIKey is GDQSIQHGBOFYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O4.C23H19F2N3O4.C17H13ClF2N2O3.C13H20BNO3.CH4/c1-13-4-7-19(28-20(13)15-10-14(2)21(31-3)27-12-15)29-22(30)23(8-9-23)16-5-6-17-18(11-16)33-24(25,26)32-17;1-12-3-6-18(27-19(12)14-9-13(2)20(29)26-11-14)28-21(30)22(7-8-22)15-4-5-16-17(10-15)32-23(24,25)31-16;1-9-2-5-13(21-14(9)18)22-15(23)16(6-7-16)10-3-4-11-12(8-10)25-17(19,20)24-11;1-9-7-10(8-15-11(9)16-6)14-17-12(2,3)13(4,5)18-14;/h4-7,10-12H,8-9H2,1-3H3,(H,28,29,30);3-6,9-11H,7-8H2,1-2H3,(H,26,29)(H,27,28,30);2-5,8H,6-7H2,1H3,(H,21,22,23);7-8H,1-6H3;1H4.

What are the key properties of N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;2-methoxy-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;2-methoxy-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 1524.78 g/mol, XLogP of 15.18, 14 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-5-methyl-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;2-methoxy-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 158224708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).