N-(6-chloro-4-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-4-methyl-3-pyridinyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4-methyl-6-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-4-methyl-3-pyridinyl)boronic acid;hydrochloride

C71H64BCl2F6N9O14 — CID 157297797

About N-(6-chloro-4-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-4-methyl-3-pyridinyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4-methyl-6-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-4-methyl-3-pyridinyl)boronic acid;hydrochloride

N-(6-chloro-4-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-4-methyl-3-pyridinyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4-methyl-6-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-4-methyl-3-pyridinyl)boronic acid;hydrochloride (PubChem CID 157297797) has the molecular formula C71H64BCl2F6N9O14 and a molecular weight of 1463.05 g/mol. Its IUPAC name is N-(6-chloro-4-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-4-methyl-3-pyridinyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4-methyl-6-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-4-methyl-3-pyridinyl)boronic acid;hydrochloride.

Molecular Properties

• Compound Name: N-(6-chloro-4-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-4-methyl-3-pyridinyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4-methyl-6-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-4-methyl-3-pyridinyl)boronic acid;hydrochloride
• PubChem CID: 157297797
• Molecular Formula: C71H64BCl2F6N9O14
• Molecular Weight: 1463.05 g/mol
• Exact Mass: 1461.39
• IUPAC Name: N-(6-chloro-4-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-4-methyl-3-pyridinyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4-methyl-6-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-4-methyl-3-pyridinyl)boronic acid;hydrochloride
• SMILES: COc1cc(C)c(-c2cc(C)cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)n2)cn1.COc1cc(C)c(B(O)O)cn1.Cc1cc(Cl)nc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)c1.Cc1cc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc(-c2c[nH]c(=O)cc2C)c1.Cl
• InChI: InChI=1S/C24H21F2N3O4.C23H19F2N3O4.C17H13ClF2N2O3.C7H10BNO3.ClH/c1-13-8-17(16-12-27-21(31-3)10-14(16)2)28-20(9-13)29-22(30)23(6-7-23)15-4-5-18-19(11-15)33-24(25,26)32-18;1-12-7-16(15-11-26-20(29)9-13(15)2)27-19(8-12)28-21(30)22(5-6-22)14-3-4-17-18(10-14)32-23(24,25)31-17;1-9-6-13(18)21-14(7-9)22-15(23)16(4-5-16)10-2-3-11-12(8-10)25-17(19,20)24-11;1-5-3-7(12-2)9-4-6(5)8(10)11;/h4-5,8-12H,6-7H2,1-3H3,(H,28,29,30);3-4,7-11H,5-6H2,1-2H3,(H,26,29)(H,27,28,30);2-3,6-8H,4-5H2,1H3,(H,21,22,23);3-4,10-11H,1-2H3;1H
• InChIKey: RPPCVYSRINGHQV-UHFFFAOYSA-N
• XLogP: 12.34
• TPSA: 298.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1463.05
LogP ≤ 5	12.34
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-4-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-4-methyl-3-pyridinyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4-methyl-6-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-4-methyl-3-pyridinyl)boronic acid;hydrochloride?

The IUPAC name of N-(6-chloro-4-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-4-methyl-3-pyridinyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4-methyl-6-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-4-methyl-3-pyridinyl)boronic acid;hydrochloride (CID 157297797) is N-(6-chloro-4-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-4-methyl-3-pyridinyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4-methyl-6-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-4-methyl-3-pyridinyl)boronic acid;hydrochloride.

What is the SMILES notation for N-(6-chloro-4-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-4-methyl-3-pyridinyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4-methyl-6-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-4-methyl-3-pyridinyl)boronic acid;hydrochloride?

The canonical SMILES for N-(6-chloro-4-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-4-methyl-3-pyridinyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4-methyl-6-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-4-methyl-3-pyridinyl)boronic acid;hydrochloride is COc1cc(C)c(-c2cc(C)cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)n2)cn1.COc1cc(C)c(B(O)O)cn1.Cc1cc(Cl)nc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)c1.Cc1cc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc(-c2c[nH]c(=O)cc2C)c1.Cl.

What is the InChIKey of N-(6-chloro-4-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-4-methyl-3-pyridinyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4-methyl-6-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-4-methyl-3-pyridinyl)boronic acid;hydrochloride?

The InChIKey is RPPCVYSRINGHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O4.C23H19F2N3O4.C17H13ClF2N2O3.C7H10BNO3.ClH/c1-13-8-17(16-12-27-21(31-3)10-14(16)2)28-20(9-13)29-22(30)23(6-7-23)15-4-5-18-19(11-15)33-24(25,26)32-18;1-12-7-16(15-11-26-20(29)9-13(15)2)27-19(8-12)28-21(30)22(5-6-22)14-3-4-17-18(10-14)32-23(24,25)31-17;1-9-6-13(18)21-14(7-9)22-15(23)16(4-5-16)10-2-3-11-12(8-10)25-17(19,20)24-11;1-5-3-7(12-2)9-4-6(5)8(10)11;/h4-5,8-12H,6-7H2,1-3H3,(H,28,29,30);3-4,7-11H,5-6H2,1-2H3,(H,26,29)(H,27,28,30);2-3,6-8H,4-5H2,1H3,(H,21,22,23);3-4,10-11H,1-2H3;1H.

What are the key properties of N-(6-chloro-4-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-4-methyl-3-pyridinyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4-methyl-6-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-4-methyl-3-pyridinyl)boronic acid;hydrochloride?

N-(6-chloro-4-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-4-methyl-3-pyridinyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4-methyl-6-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-4-methyl-3-pyridinyl)boronic acid;hydrochloride has a molecular weight of 1463.05 g/mol, XLogP of 12.34, 14 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-4-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-4-methyl-3-pyridinyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4-methyl-6-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;(6-methoxy-4-methyl-3-pyridinyl)boronic acid;hydrochloride is sourced from PubChem (CID 157297797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).