N-(6-bromo-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-3-pyridinyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-3H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;(2-methoxy-3-pyridinyl)boronic acid

C68H63BBrF6N9O14 — CID 161115698

About N-(6-bromo-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-3-pyridinyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-3H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;(2-methoxy-3-pyridinyl)boronic acid

N-(6-bromo-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-3-pyridinyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-3H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;(2-methoxy-3-pyridinyl)boronic acid (PubChem CID 161115698) has the molecular formula C68H63BBrF6N9O14 and a molecular weight of 1435.00 g/mol. Its IUPAC name is N-(6-bromo-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-3-pyridinyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-3H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;(2-methoxy-3-pyridinyl)boronic acid.

Molecular Properties

• Compound Name: N-(6-bromo-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-3-pyridinyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-3H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;(2-methoxy-3-pyridinyl)boronic acid
• PubChem CID: 161115698
• Molecular Formula: C68H63BBrF6N9O14
• Molecular Weight: 1435.00 g/mol
• Exact Mass: 1433.37
• IUPAC Name: N-(6-bromo-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-3-pyridinyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-3H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;(2-methoxy-3-pyridinyl)boronic acid
• SMILES: C.C.C.COc1ncccc1-c1cccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)n1.COc1ncccc1B(O)O.O=C(Nc1cccc(Br)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.O=C1N=CC=CC1c1cccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)n1
• InChI: InChI=1S/C22H17F2N3O4.C21H15F2N3O4.C16H11BrF2N2O3.C6H8BNO3.3CH4/c1-29-19-14(4-3-11-25-19)15-5-2-6-18(26-15)27-20(28)21(9-10-21)13-7-8-16-17(12-13)31-22(23,24)30-16;22-21(23)29-15-7-6-12(11-16(15)30-21)20(8-9-20)19(28)26-17-5-1-4-14(25-17)13-3-2-10-24-18(13)27;17-12-2-1-3-13(20-12)21-14(22)15(6-7-15)9-4-5-10-11(8-9)24-16(18,19)23-10;1-11-6-5(7(9)10)3-2-4-8-6;;;/h2-8,11-12H,9-10H2,1H3,(H,26,27,28);1-7,10-11,13H,8-9H2,(H,25,26,28);1-5,8H,6-7H2,(H,20,21,22);2-4,9-10H,1H3;3*1H4
• InChIKey: UKHCDRAGEOXKGL-UHFFFAOYSA-N
• XLogP: 11.98
• TPSA: 295.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1435.00
LogP ≤ 5	11.98
H-Bond Donors ≤ 5	5
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-bromo-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-3-pyridinyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-3H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;(2-methoxy-3-pyridinyl)boronic acid?

The IUPAC name of N-(6-bromo-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-3-pyridinyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-3H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;(2-methoxy-3-pyridinyl)boronic acid (CID 161115698) is N-(6-bromo-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-3-pyridinyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-3H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;(2-methoxy-3-pyridinyl)boronic acid.

What is the SMILES notation for N-(6-bromo-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-3-pyridinyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-3H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;(2-methoxy-3-pyridinyl)boronic acid?

The canonical SMILES for N-(6-bromo-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-3-pyridinyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-3H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;(2-methoxy-3-pyridinyl)boronic acid is C.C.C.COc1ncccc1-c1cccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)n1.COc1ncccc1B(O)O.O=C(Nc1cccc(Br)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.O=C1N=CC=CC1c1cccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)n1.

What is the InChIKey of N-(6-bromo-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-3-pyridinyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-3H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;(2-methoxy-3-pyridinyl)boronic acid?

The InChIKey is UKHCDRAGEOXKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O4.C21H15F2N3O4.C16H11BrF2N2O3.C6H8BNO3.3CH4/c1-29-19-14(4-3-11-25-19)15-5-2-6-18(26-15)27-20(28)21(9-10-21)13-7-8-16-17(12-13)31-22(23,24)30-16;22-21(23)29-15-7-6-12(11-16(15)30-21)20(8-9-20)19(28)26-17-5-1-4-14(25-17)13-3-2-10-24-18(13)27;17-12-2-1-3-13(20-12)21-14(22)15(6-7-15)9-4-5-10-11(8-9)24-16(18,19)23-10;1-11-6-5(7(9)10)3-2-4-8-6;;;/h2-8,11-12H,9-10H2,1H3,(H,26,27,28);1-7,10-11,13H,8-9H2,(H,25,26,28);1-5,8H,6-7H2,(H,20,21,22);2-4,9-10H,1H3;3*1H4.

What are the key properties of N-(6-bromo-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-3-pyridinyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-3H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;(2-methoxy-3-pyridinyl)boronic acid?

N-(6-bromo-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-3-pyridinyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-3H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;(2-methoxy-3-pyridinyl)boronic acid has a molecular weight of 1435.00 g/mol, XLogP of 11.98, 14 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-bromo-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-3-pyridinyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-oxo-3H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane;(2-methoxy-3-pyridinyl)boronic acid is sourced from PubChem (CID 161115698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).