4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;1-(3,4-dimethoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

C102H113ClN12O19S3 — CID 157266898

About 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;1-(3,4-dimethoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;1-(3,4-dimethoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 157266898) has the molecular formula C102H113ClN12O19S3 and a molecular weight of 1942.74 g/mol. Its IUPAC name is 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;1-(3,4-dimethoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;1-(3,4-dimethoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 157266898
• Molecular Formula: C102H113ClN12O19S3
• Molecular Weight: 1942.74 g/mol
• Exact Mass: 1940.71
• IUPAC Name: 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;1-(3,4-dimethoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CNC(=O)c1ccc(-c2cnc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(C)c2C)cc1.CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(OC)c(OC)c4)CC3)n2)cc1.CS(=O)(=O)NCc1ccc(-c2cccc(NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)n2)cc1.O=C(Nc1cccc(-c2ccc(S(=O)(=O)NCCOCCO)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H28ClN3O3S.C26H27N3O7S.C26H25N3O4.C24H25N3O5S.4H2/c1-34(32,33)28-18-19-8-10-20(11-9-19)23-6-5-7-24(29-23)30-25(31)26(16-3-2-4-17-26)21-12-14-22(27)15-13-21;30-13-15-34-14-12-27-37(32,33)20-7-4-18(5-8-20)21-2-1-3-24(28-21)29-25(31)26(10-11-26)19-6-9-22-23(16-19)36-17-35-22;1-15-16(2)23(28-13-20(15)17-4-6-18(7-5-17)24(30)27-3)29-25(31)26(10-11-26)19-8-9-21-22(12-19)33-14-32-21;1-25-33(29,30)18-10-7-16(8-11-18)19-5-4-6-22(26-19)27-23(28)24(13-14-24)17-9-12-20(31-2)21(15-17)32-3;;;;/h5-15,28H,2-4,16-18H2,1H3,(H,29,30,31);1-9,16,27,30H,10-15,17H2,(H,28,29,31);4-9,12-13H,10-11,14H2,1-3H3,(H,27,30)(H,28,29,31);4-12,15,25H,13-14H2,1-3H3,(H,26,27,28);4*1H
• InChIKey: AYCDRVHGBCDHLJ-UHFFFAOYSA-N
• XLogP: 16.18
• TPSA: 420.41 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 31
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1942.74
LogP ≤ 5	16.18
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;1-(3,4-dimethoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;1-(3,4-dimethoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 157266898) is 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;1-(3,4-dimethoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;1-(3,4-dimethoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;1-(3,4-dimethoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is CNC(=O)c1ccc(-c2cnc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(C)c2C)cc1.CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(OC)c(OC)c4)CC3)n2)cc1.CS(=O)(=O)NCc1ccc(-c2cccc(NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)n2)cc1.O=C(Nc1cccc(-c2ccc(S(=O)(=O)NCCOCCO)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;1-(3,4-dimethoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is AYCDRVHGBCDHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O3S.C26H27N3O7S.C26H25N3O4.C24H25N3O5S.4H2/c1-34(32,33)28-18-19-8-10-20(11-9-19)23-6-5-7-24(29-23)30-25(31)26(16-3-2-4-17-26)21-12-14-22(27)15-13-21;30-13-15-34-14-12-27-37(32,33)20-7-4-18(5-8-20)21-2-1-3-24(28-21)29-25(31)26(10-11-26)19-6-9-22-23(16-19)36-17-35-22;1-15-16(2)23(28-13-20(15)17-4-6-18(7-5-17)24(30)27-3)29-25(31)26(10-11-26)19-8-9-21-22(12-19)33-14-32-21;1-25-33(29,30)18-10-7-16(8-11-18)19-5-4-6-22(26-19)27-23(28)24(13-14-24)17-9-12-20(31-2)21(15-17)32-3;;;;/h5-15,28H,2-4,16-18H2,1H3,(H,29,30,31);1-9,16,27,30H,10-15,17H2,(H,28,29,31);4-9,12-13H,10-11,14H2,1-3H3,(H,27,30)(H,28,29,31);4-12,15,25H,13-14H2,1-3H3,(H,26,27,28);4*1H.

What are the key properties of 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;1-(3,4-dimethoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;1-(3,4-dimethoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 1942.74 g/mol, XLogP of 16.18, 31 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;1-(3,4-dimethoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 157266898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).