3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

C119H114F3N13O19S2 — CID 158928524

About 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 158928524) has the molecular formula C119H114F3N13O19S2 and a molecular weight of 2151.42 g/mol. Its IUPAC name is 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 158928524
• Molecular Formula: C119H114F3N13O19S2
• Molecular Weight: 2151.42 g/mol
• Exact Mass: 2149.77
• IUPAC Name: 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CN(C)C(=O)c1cccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)c1.CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(OC(F)(F)F)cc4)CC3)n2)cc1.Cc1c(-c2ccccc2)cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1C.Cc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ncc1-c1ccc(S(N)(=O)=O)cc1.Cc1ccccc1-c1cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1C.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H23N3O4.2C24H22N2O3.C23H20F3N3O4S.C23H21N3O5S.3H2/c1-28(2)23(29)17-5-3-4-16(12-17)18-6-9-22(26-14-18)27-24(30)25(10-11-25)19-7-8-20-21(13-19)32-15-31-20;1-15-5-3-4-6-18(15)19-13-25-22(11-16(19)2)26-23(27)24(9-10-24)17-7-8-20-21(12-17)29-14-28-20;1-15-16(2)22(25-13-19(15)17-6-4-3-5-7-17)26-23(27)24(10-11-24)18-8-9-20-21(12-18)29-14-28-20;1-27-34(31,32)18-11-5-15(6-12-18)19-3-2-4-20(28-19)29-21(30)22(13-14-22)16-7-9-17(10-8-16)33-23(24,25)26;1-14-10-21(25-12-18(14)15-2-5-17(6-3-15)32(24,28)29)26-22(27)23(8-9-23)16-4-7-19-20(11-16)31-13-30-19;;;/h3-9,12-14H,10-11,15H2,1-2H3,(H,26,27,30);3-8,11-13H,9-10,14H2,1-2H3,(H,25,26,27);3-9,12-13H,10-11,14H2,1-2H3,(H,25,26,27);2-12,27H,13-14H2,1H3,(H,28,29,30);2-7,10-12H,8-9,13H2,1H3,(H2,24,28,29)(H,25,26,27);3*1H
• InChIKey: JISZPZAQJICXKE-UHFFFAOYSA-N
• XLogP: 21.45
• TPSA: 419.66 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2151.42
LogP ≤ 5	21.45
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 158928524) is 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is CN(C)C(=O)c1cccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)c1.CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(OC(F)(F)F)cc4)CC3)n2)cc1.Cc1c(-c2ccccc2)cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1C.Cc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ncc1-c1ccc(S(N)(=O)=O)cc1.Cc1ccccc1-c1cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1C.[H][H].[H][H].[H][H].

What is the InChIKey of 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is JISZPZAQJICXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4.2C24H22N2O3.C23H20F3N3O4S.C23H21N3O5S.3H2/c1-28(2)23(29)17-5-3-4-16(12-17)18-6-9-22(26-14-18)27-24(30)25(10-11-25)19-7-8-20-21(13-19)32-15-31-20;1-15-5-3-4-6-18(15)19-13-25-22(11-16(19)2)26-23(27)24(9-10-24)17-7-8-20-21(12-17)29-14-28-20;1-15-16(2)22(25-13-19(15)17-6-4-3-5-7-17)26-23(27)24(10-11-24)18-8-9-20-21(12-18)29-14-28-20;1-27-34(31,32)18-11-5-15(6-12-18)19-3-2-4-20(28-19)29-21(30)22(13-14-22)16-7-9-17(10-8-16)33-23(24,25)26;1-14-10-21(25-12-18(14)15-2-5-17(6-3-15)32(24,28)29)26-22(27)23(8-9-23)16-4-7-19-20(11-16)31-13-30-19;;;/h3-9,12-14H,10-11,15H2,1-2H3,(H,26,27,30);3-8,11-13H,9-10,14H2,1-2H3,(H,25,26,27);3-9,12-13H,10-11,14H2,1-2H3,(H,25,26,27);2-12,27H,13-14H2,1H3,(H,28,29,30);2-7,10-12H,8-9,13H2,1H3,(H2,24,28,29)(H,25,26,27);3*1H.

What are the key properties of 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2151.42 g/mol, XLogP of 21.45, 25 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 158928524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).