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-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

C54H54BClF4N6O12 — CID 158773595

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-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

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-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (PubChem CID 158773595) has the molecular formula C54H54BClF4N6O12 and a molecular weight of 1101.31 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-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.

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-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
• PubChem CID: 158773595
• Molecular Formula: C54H54BClF4N6O12
• Molecular Weight: 1101.31 g/mol
• Exact Mass: 1100.35
• 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-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
• SMILES: CC1(C)OB(c2ccn(CCO)c(=O)c2)OC1(C)C.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(-c2ccn(CCO)c(=O)c2)c1
• InChI: InChI=1S/C24H21F2N3O5.C17H13ClF2N2O3.C13H20BNO4/c1-14-10-17(15-4-7-29(8-9-30)21(31)12-15)27-20(11-14)28-22(32)23(5-6-23)16-2-3-18-19(13-16)34-24(25,26)33-18;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;1-12(2)13(3,4)19-14(18-12)10-5-6-15(7-8-16)11(17)9-10/h2-4,7,10-13,30H,5-6,8-9H2,1H3,(H,27,28,32);2-3,6-8H,4-5H2,1H3,(H,21,22,23);5-6,9,16H,7-8H2,1-4H3
• InChIKey: IQENYNFGWHQWBW-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 223.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1101.31
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

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-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?

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-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (CID 158773595) 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-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.

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-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?

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-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is CC1(C)OB(c2ccn(CCO)c(=O)c2)OC1(C)C.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(-c2ccn(CCO)c(=O)c2)c1.

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-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?

The InChIKey is IQENYNFGWHQWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O5.C17H13ClF2N2O3.C13H20BNO4/c1-14-10-17(15-4-7-29(8-9-30)21(31)12-15)27-20(11-14)28-22(32)23(5-6-23)16-2-3-18-19(13-16)34-24(25,26)33-18;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;1-12(2)13(3,4)19-14(18-12)10-5-6-15(7-8-16)11(17)9-10/h2-4,7,10-13,30H,5-6,8-9H2,1H3,(H,27,28,32);2-3,6-8H,4-5H2,1H3,(H,21,22,23);5-6,9,16H,7-8H2,1-4H3.

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-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?

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-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one has a molecular weight of 1101.31 g/mol, XLogP of 7.38, 12 rotatable bonds, 4 hydrogen bond donors, and 16 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-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is sourced from PubChem (CID 158773595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).