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-(2-methoxy-6-methyl-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;2-methoxy-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C54H54BClF4N6O10 — CID 158105944

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-(2-methoxy-6-methyl-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;2-methoxy-6-methyl-4-(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-(2-methoxy-6-methyl-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;2-methoxy-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 158105944) has the molecular formula C54H54BClF4N6O10 and a molecular weight of 1069.31 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-(2-methoxy-6-methyl-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;2-methoxy-6-methyl-4-(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-(2-methoxy-6-methyl-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;2-methoxy-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• PubChem CID: 158105944
• Molecular Formula: C54H54BClF4N6O10
• Molecular Weight: 1069.31 g/mol
• Exact Mass: 1068.36
• 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-(2-methoxy-6-methyl-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;2-methoxy-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• SMILES: COc1cc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)cc(C)n1.COc1cc(B2OC(C)(C)C(C)(C)O2)cc(C)n1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1Cl
• InChI: InChI=1S/C24H21F2N3O4.C17H13ClF2N2O3.C13H20BNO3/c1-13-4-7-19(28-21(13)15-10-14(2)27-20(11-15)31-3)29-22(30)23(8-9-23)16-5-6-17-18(12-16)33-24(25,26)32-17;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(8-11(15-9)16-6)14-17-12(2,3)13(4,5)18-14/h4-7,10-12H,8-9H2,1-3H3,(H,28,29,30);2-5,8H,6-7H2,1H3,(H,21,22,23);7-8H,1-6H3
• InChIKey: FPVHKTMDGFKPFM-UHFFFAOYSA-N
• XLogP: 10.49
• TPSA: 183.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1069.31
LogP ≤ 5	10.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

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-(2-methoxy-6-methyl-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;2-methoxy-6-methyl-4-(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-(2-methoxy-6-methyl-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;2-methoxy-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 158105944) 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-(2-methoxy-6-methyl-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;2-methoxy-6-methyl-4-(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-(2-methoxy-6-methyl-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;2-methoxy-6-methyl-4-(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-(2-methoxy-6-methyl-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;2-methoxy-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is COc1cc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)cc(C)n1.COc1cc(B2OC(C)(C)C(C)(C)O2)cc(C)n1.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-(2-methoxy-6-methyl-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;2-methoxy-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

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

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-(2-methoxy-6-methyl-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;2-methoxy-6-methyl-4-(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-(2-methoxy-6-methyl-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;2-methoxy-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 1069.31 g/mol, XLogP of 10.49, 10 rotatable bonds, 2 hydrogen bond donors, and 14 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-(2-methoxy-6-methyl-4-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;2-methoxy-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 158105944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).