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

C68H58BCl2F6N9O14 — CID 158965141

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

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-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride (PubChem CID 158965141) has the molecular formula C68H58BCl2F6N9O14 and a molecular weight of 1420.97 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-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride.

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-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride
• PubChem CID: 158965141
• Molecular Formula: C68H58BCl2F6N9O14
• Molecular Weight: 1420.97 g/mol
• Exact Mass: 1419.35
• 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-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride
• SMILES: COc1ccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)cn1.COc1ccc(B(O)O)cn1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(=O)[nH]c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1Cl.Cl
• InChI: InChI=1S/C23H19F2N3O4.C22H17F2N3O4.C17H13ClF2N2O3.C6H8BNO3.ClH/c1-13-3-7-18(27-20(13)14-4-8-19(30-2)26-12-14)28-21(29)22(9-10-22)15-5-6-16-17(11-15)32-23(24,25)31-16;1-12-2-6-17(26-19(12)13-3-7-18(28)25-11-13)27-20(29)21(8-9-21)14-4-5-15-16(10-14)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;1-11-6-3-2-5(4-8-6)7(9)10;/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: VOTOHORAZIEMOR-UHFFFAOYSA-N
• XLogP: 11.42
• TPSA: 298.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1420.97
LogP ≤ 5	11.42
H-Bond Donors ≤ 5	6
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-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride?

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-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride (CID 158965141) 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-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride.

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

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-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride is COc1ccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)cn1.COc1ccc(B(O)O)cn1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(=O)[nH]c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1Cl.Cl.

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

The InChIKey is VOTOHORAZIEMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O4.C22H17F2N3O4.C17H13ClF2N2O3.C6H8BNO3.ClH/c1-13-3-7-18(27-20(13)14-4-8-19(30-2)26-12-14)28-21(29)22(9-10-22)15-5-6-16-17(11-15)32-23(24,25)31-16;1-12-2-6-17(26-19(12)13-3-7-18(28)25-11-13)27-20(29)21(8-9-21)14-4-5-15-16(10-14)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;1-11-6-3-2-5(4-8-6)7(9)10;/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-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-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride?

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-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride has a molecular weight of 1420.97 g/mol, XLogP of 11.42, 14 rotatable bonds, 6 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-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-3-pyridinyl)boronic acid;hydrochloride is sourced from PubChem (CID 158965141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).