4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

C126H125F2N13O23S2 — CID 159105545

About 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 159105545) has the molecular formula C126H125F2N13O23S2 and a molecular weight of 2291.58 g/mol. Its IUPAC name is 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 159105545
• Molecular Formula: C126H125F2N13O23S2
• Molecular Weight: 2291.58 g/mol
• Exact Mass: 2289.84
• IUPAC Name: 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CC(C)(CO)NS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.CNC(=O)c1ccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2C)cc1.Cc1c(-c2ccccc2CO)cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1C.Cc1nc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1-c1ccc(CO)cc1.O=C(Nc1cccc(-c2ccc(S(=O)(=O)N3CCC(F)(F)C3)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H23F2N3O5S.C26H27N3O6S.C25H23N3O4.C25H24N2O4.C24H22N2O4.3H2/c27-26(28)12-13-31(15-26)37(33,34)19-7-4-17(5-8-19)20-2-1-3-23(29-20)30-24(32)25(10-11-25)18-6-9-21-22(14-18)36-16-35-21;1-25(2,15-30)29-36(32,33)19-9-6-17(7-10-19)20-4-3-5-23(27-20)28-24(31)26(12-13-26)18-8-11-21-22(14-18)35-16-34-21;1-15-19(16-3-5-17(6-4-16)23(29)26-2)8-10-22(27-15)28-24(30)25(11-12-25)18-7-9-20-21(13-18)32-14-31-20;1-15-16(2)23(26-12-20(15)19-6-4-3-5-17(19)13-28)27-24(29)25(9-10-25)18-7-8-21-22(11-18)31-14-30-21;1-15-19(17-4-2-16(13-27)3-5-17)7-9-22(25-15)26-23(28)24(10-11-24)18-6-8-20-21(12-18)30-14-29-20;;;/h1-9,14H,10-13,15-16H2,(H,29,30,32);3-11,14,29-30H,12-13,15-16H2,1-2H3,(H,27,28,31);3-10,13H,11-12,14H2,1-2H3,(H,26,29)(H,27,28,30);3-8,11-12,28H,9-10,13-14H2,1-2H3,(H,26,27,29);2-9,12,27H,10-11,13-14H2,1H3,(H,25,26,28);3*1H
• InChIKey: KDVIGNJUEZVZQV-UHFFFAOYSA-N
• XLogP: 20.13
• TPSA: 475.59 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2291.58
LogP ≤ 5	20.13
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 159105545) is 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is CC(C)(CO)NS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.CNC(=O)c1ccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2C)cc1.Cc1c(-c2ccccc2CO)cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1C.Cc1nc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1-c1ccc(CO)cc1.O=C(Nc1cccc(-c2ccc(S(=O)(=O)N3CCC(F)(F)C3)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H].

What is the InChIKey of 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is KDVIGNJUEZVZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O5S.C26H27N3O6S.C25H23N3O4.C25H24N2O4.C24H22N2O4.3H2/c27-26(28)12-13-31(15-26)37(33,34)19-7-4-17(5-8-19)20-2-1-3-23(29-20)30-24(32)25(10-11-25)18-6-9-21-22(14-18)36-16-35-21;1-25(2,15-30)29-36(32,33)19-9-6-17(7-10-19)20-4-3-5-23(27-20)28-24(31)26(12-13-26)18-8-11-21-22(14-18)35-16-34-21;1-15-19(16-3-5-17(6-4-16)23(29)26-2)8-10-22(27-15)28-24(30)25(11-12-25)18-7-9-20-21(13-18)32-14-31-20;1-15-16(2)23(26-12-20(15)19-6-4-3-5-17(19)13-28)27-24(29)25(9-10-25)18-7-8-21-22(11-18)31-14-30-21;1-15-19(17-4-2-16(13-27)3-5-17)7-9-22(25-15)26-23(28)24(10-11-24)18-6-8-20-21(12-18)30-14-29-20;;;/h1-9,14H,10-13,15-16H2,(H,29,30,32);3-11,14,29-30H,12-13,15-16H2,1-2H3,(H,27,28,31);3-10,13H,11-12,14H2,1-2H3,(H,26,29)(H,27,28,30);3-8,11-12,28H,9-10,13-14H2,1-2H3,(H,26,27,29);2-9,12,27H,10-11,13-14H2,1H3,(H,25,26,28);3*1H.

What are the key properties of 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2291.58 g/mol, XLogP of 20.13, 29 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159105545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).