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

C68H58BBrClF6N9O12 — CID 157322369

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

N-(6-bromo-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-[5-methyl-6-(2-methyl-3-pyridinyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(2-methyl-3-pyridinyl)boronic acid;hydrochloride (PubChem CID 157322369) has the molecular formula C68H58BBrClF6N9O12 and a molecular weight of 1433.42 g/mol. Its IUPAC name is N-(6-bromo-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-[5-methyl-6-(2-methyl-3-pyridinyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(2-methyl-3-pyridinyl)boronic acid;hydrochloride.

Molecular Properties

• Compound Name: N-(6-bromo-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-[5-methyl-6-(2-methyl-3-pyridinyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(2-methyl-3-pyridinyl)boronic acid;hydrochloride
• PubChem CID: 157322369
• Molecular Formula: C68H58BBrClF6N9O12
• Molecular Weight: 1433.42 g/mol
• Exact Mass: 1431.31
• IUPAC Name: N-(6-bromo-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-[5-methyl-6-(2-methyl-3-pyridinyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(2-methyl-3-pyridinyl)boronic acid;hydrochloride
• SMILES: Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc[nH]c1=O.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccnc1C.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1Br.Cc1ncccc1B(O)O.Cl
• InChI: InChI=1S/C23H19F2N3O3.C22H17F2N3O4.C17H13BrF2N2O3.C6H8BNO2.ClH/c1-13-5-8-19(27-20(13)16-4-3-11-26-14(16)2)28-21(29)22(9-10-22)15-6-7-17-18(12-15)31-23(24,25)30-17;1-12-4-7-17(26-18(12)14-3-2-10-25-19(14)28)27-20(29)21(8-9-21)13-5-6-15-16(11-13)31-22(23,24)30-15;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;1-5-6(7(9)10)3-2-4-8-5;/h3-8,11-12H,9-10H2,1-2H3,(H,27,28,29);2-7,10-11H,8-9H2,1H3,(H,25,28)(H,26,27,29);2-5,8H,6-7H2,1H3,(H,21,22,23);2-4,9-10H,1H3;1H
• InChIKey: MBYWVLFJGBPRJH-UHFFFAOYSA-N
• XLogP: 12.13
• TPSA: 280.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1433.42
LogP ≤ 5	12.13
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

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

The IUPAC name of N-(6-bromo-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-[5-methyl-6-(2-methyl-3-pyridinyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(2-methyl-3-pyridinyl)boronic acid;hydrochloride (CID 157322369) is N-(6-bromo-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-[5-methyl-6-(2-methyl-3-pyridinyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(2-methyl-3-pyridinyl)boronic acid;hydrochloride.

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

The canonical SMILES for N-(6-bromo-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-[5-methyl-6-(2-methyl-3-pyridinyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(2-methyl-3-pyridinyl)boronic acid;hydrochloride is Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc[nH]c1=O.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccnc1C.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1Br.Cc1ncccc1B(O)O.Cl.

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

The InChIKey is MBYWVLFJGBPRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O3.C22H17F2N3O4.C17H13BrF2N2O3.C6H8BNO2.ClH/c1-13-5-8-19(27-20(13)16-4-3-11-26-14(16)2)28-21(29)22(9-10-22)15-6-7-17-18(12-15)31-23(24,25)30-17;1-12-4-7-17(26-18(12)14-3-2-10-25-19(14)28)27-20(29)21(8-9-21)13-5-6-15-16(11-13)31-22(23,24)30-15;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;1-5-6(7(9)10)3-2-4-8-5;/h3-8,11-12H,9-10H2,1-2H3,(H,27,28,29);2-7,10-11H,8-9H2,1H3,(H,25,28)(H,26,27,29);2-5,8H,6-7H2,1H3,(H,21,22,23);2-4,9-10H,1H3;1H.

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

N-(6-bromo-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-[5-methyl-6-(2-methyl-3-pyridinyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(2-methyl-3-pyridinyl)boronic acid;hydrochloride has a molecular weight of 1433.42 g/mol, XLogP of 12.13, 12 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-bromo-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-[5-methyl-6-(2-methyl-3-pyridinyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(2-methyl-3-pyridinyl)boronic acid;hydrochloride is sourced from PubChem (CID 157322369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).