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

C56H58BClF4N6O10 — CID 157218311

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

N-(6-chloro-4,5-dimethyl-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-2-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;6-methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 157218311) has the molecular formula C56H58BClF4N6O10 and a molecular weight of 1097.37 g/mol. Its IUPAC name is N-(6-chloro-4,5-dimethyl-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-2-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;6-methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

• Compound Name: N-(6-chloro-4,5-dimethyl-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-2-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;6-methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• PubChem CID: 157218311
• Molecular Formula: C56H58BClF4N6O10
• Molecular Weight: 1097.37 g/mol
• Exact Mass: 1096.39
• IUPAC Name: N-(6-chloro-4,5-dimethyl-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-2-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;6-methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• SMILES: COc1ccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)cc(C)c2C)c(C)n1.COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)n1.Cc1cc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc(Cl)c1C
• InChI: InChI=1S/C25H23F2N3O4.C18H15ClF2N2O3.C13H20BNO3/c1-13-11-20(29-22(14(13)2)17-6-8-21(32-4)28-15(17)3)30-23(31)24(9-10-24)16-5-7-18-19(12-16)34-25(26,27)33-18;1-9-7-14(22-15(19)10(9)2)23-16(24)17(5-6-17)11-3-4-12-13(8-11)26-18(20,21)25-12;1-9-10(7-8-11(15-9)16-6)14-17-12(2,3)13(4,5)18-14/h5-8,11-12H,9-10H2,1-4H3,(H,29,30,31);3-4,7-8H,5-6H2,1-2H3,(H,22,23,24);7-8H,1-6H3
• InChIKey: ASRHXOOSQHANQZ-UHFFFAOYSA-N
• XLogP: 11.11
• TPSA: 183.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1097.37
LogP ≤ 5	11.11
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-4,5-dimethyl-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-2-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;6-methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The IUPAC name of N-(6-chloro-4,5-dimethyl-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-2-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;6-methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 157218311) is N-(6-chloro-4,5-dimethyl-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-2-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;6-methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

What is the SMILES notation for N-(6-chloro-4,5-dimethyl-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-2-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;6-methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The canonical SMILES for N-(6-chloro-4,5-dimethyl-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-2-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;6-methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is COc1ccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)cc(C)c2C)c(C)n1.COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)n1.Cc1cc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc(Cl)c1C.

What is the InChIKey of N-(6-chloro-4,5-dimethyl-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-2-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;6-methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The InChIKey is ASRHXOOSQHANQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O4.C18H15ClF2N2O3.C13H20BNO3/c1-13-11-20(29-22(14(13)2)17-6-8-21(32-4)28-15(17)3)30-23(31)24(9-10-24)16-5-7-18-19(12-16)34-25(26,27)33-18;1-9-7-14(22-15(19)10(9)2)23-16(24)17(5-6-17)11-3-4-12-13(8-11)26-18(20,21)25-12;1-9-10(7-8-11(15-9)16-6)14-17-12(2,3)13(4,5)18-14/h5-8,11-12H,9-10H2,1-4H3,(H,29,30,31);3-4,7-8H,5-6H2,1-2H3,(H,22,23,24);7-8H,1-6H3.

What are the key properties of N-(6-chloro-4,5-dimethyl-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-2-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;6-methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

N-(6-chloro-4,5-dimethyl-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-2-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;6-methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 1097.37 g/mol, XLogP of 11.11, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-4,5-dimethyl-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-2-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;6-methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 157218311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).