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

C85H67ClF8N14O19 — CID 158688883

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

N-[6-(5-amino-6-methoxy-3-pyridinyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;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-5-nitro-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-nitro-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 158688883) has the molecular formula C85H67ClF8N14O19 and a molecular weight of 1775.99 g/mol. Its IUPAC name is N-[6-(5-amino-6-methoxy-3-pyridinyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;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-5-nitro-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-nitro-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[6-(5-amino-6-methoxy-3-pyridinyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;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-5-nitro-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-nitro-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide
• PubChem CID: 158688883
• Molecular Formula: C85H67ClF8N14O19
• Molecular Weight: 1775.99 g/mol
• Exact Mass: 1774.43
• IUPAC Name: N-[6-(5-amino-6-methoxy-3-pyridinyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;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-5-nitro-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-nitro-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide
• SMILES: COc1ncc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)cc1N.COc1ncc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)cc1[N+](=O)[O-].Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1c[nH]c(=O)c([N+](=O)[O-])c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1Cl
• InChI: InChI=1S/C23H18F2N4O6.C23H20F2N4O4.C22H16F2N4O6.C17H13ClF2N2O3/c1-12-3-6-18(27-19(12)13-9-15(29(31)32)20(33-2)26-11-13)28-21(30)22(7-8-22)14-4-5-16-17(10-14)35-23(24,25)34-16;1-12-3-6-18(28-19(12)13-9-15(26)20(31-2)27-11-13)29-21(30)22(7-8-22)14-4-5-16-17(10-14)33-23(24,25)32-16;1-11-2-5-17(26-18(11)12-8-14(28(31)32)19(29)25-10-12)27-20(30)21(6-7-21)13-3-4-15-16(9-13)34-22(23,24)33-15;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/h3-6,9-11H,7-8H2,1-2H3,(H,27,28,30);3-6,9-11H,7-8,26H2,1-2H3,(H,28,29,30);2-5,8-10H,6-7H2,1H3,(H,25,29)(H,26,27,30);2-5,8H,6-7H2,1H3,(H,21,22,23)
• InChIKey: IGBYDTNZAHNTSN-UHFFFAOYSA-N
• XLogP: 16.08
• TPSA: 431.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1775.99
LogP ≤ 5	16.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-amino-6-methoxy-3-pyridinyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;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-5-nitro-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-nitro-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide?

The IUPAC name of N-[6-(5-amino-6-methoxy-3-pyridinyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;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-5-nitro-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-nitro-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide (CID 158688883) is N-[6-(5-amino-6-methoxy-3-pyridinyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;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-5-nitro-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-nitro-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide.

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

The canonical SMILES for N-[6-(5-amino-6-methoxy-3-pyridinyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;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-5-nitro-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-nitro-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide is COc1ncc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)cc1N.COc1ncc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)cc1[N+](=O)[O-].Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1c[nH]c(=O)c([N+](=O)[O-])c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1Cl.

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

The InChIKey is IGBYDTNZAHNTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O6.C23H20F2N4O4.C22H16F2N4O6.C17H13ClF2N2O3/c1-12-3-6-18(27-19(12)13-9-15(29(31)32)20(33-2)26-11-13)28-21(30)22(7-8-22)14-4-5-16-17(10-14)35-23(24,25)34-16;1-12-3-6-18(28-19(12)13-9-15(26)20(31-2)27-11-13)29-21(30)22(7-8-22)14-4-5-16-17(10-14)33-23(24,25)32-16;1-11-2-5-17(26-18(11)12-8-14(28(31)32)19(29)25-10-12)27-20(30)21(6-7-21)13-3-4-15-16(9-13)34-22(23,24)33-15;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/h3-6,9-11H,7-8H2,1-2H3,(H,27,28,30);3-6,9-11H,7-8,26H2,1-2H3,(H,28,29,30);2-5,8-10H,6-7H2,1H3,(H,25,29)(H,26,27,30);2-5,8H,6-7H2,1H3,(H,21,22,23).

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

N-[6-(5-amino-6-methoxy-3-pyridinyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;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-5-nitro-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-nitro-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 1775.99 g/mol, XLogP of 16.08, 19 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(5-amino-6-methoxy-3-pyridinyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;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-5-nitro-3-pyridinyl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-nitro-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 158688883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).