4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-imidazol-1-ylpropylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen

C104H105ClF3N13O17S2 — CID 159904715

About 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-imidazol-1-ylpropylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen

4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-imidazol-1-ylpropylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen (PubChem CID 159904715) has the molecular formula C104H105ClF3N13O17S2 and a molecular weight of 1965.64 g/mol. Its IUPAC name is 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-imidazol-1-ylpropylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-imidazol-1-ylpropylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen
• PubChem CID: 159904715
• Molecular Formula: C104H105ClF3N13O17S2
• Molecular Weight: 1965.64 g/mol
• Exact Mass: 1963.68
• IUPAC Name: 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-imidazol-1-ylpropylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen
• SMILES: CNC(=O)c1ccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)cc1.O=C(Nc1cccc(-c2ccc(OC(F)(F)F)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1cccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)n1)C1(c2ccc(Cl)cc2)CCCCC1.O=C(Nc1cccc(-c2ccc(S(=O)(=O)NCCCn3ccnc3)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C29H32ClN3O4S.C28H27N5O5S.C24H21N3O4.C23H17F3N2O4.4H2/c30-23-13-11-22(12-14-23)29(17-2-1-3-18-29)28(35)32-27-8-4-7-26(31-27)21-9-15-25(16-10-21)38(36,37)33-19-5-6-24(33)20-34;34-27(28(11-12-28)21-7-10-24-25(17-21)38-19-37-24)32-26-4-1-3-23(31-26)20-5-8-22(9-6-20)39(35,36)30-13-2-15-33-16-14-29-18-33;1-25-22(28)16-4-2-15(3-5-16)17-6-9-21(26-13-17)27-23(29)24(10-11-24)18-7-8-19-20(12-18)31-14-30-19;24-23(25,26)32-16-7-4-14(5-8-16)17-2-1-3-20(27-17)28-21(29)22(10-11-22)15-6-9-18-19(12-15)31-13-30-18;;;;/h4,7-16,24,34H,1-3,5-6,17-20H2,(H,31,32,35);1,3-10,14,16-18,30H,2,11-13,15,19H2,(H,31,32,34);2-9,12-13H,10-11,14H2,1H3,(H,25,28)(H,26,27,29);1-9,12H,10-11,13H2,(H,27,28,29);4*1H/t24-;;;;;;;/m1......./s1
• InChIKey: NWKOZMPBEMHCKO-MXHAQYIASA-N
• XLogP: 18.64
• TPSA: 383.27 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1965.64
LogP ≤ 5	18.64
H-Bond Donors ≤ 5	7
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]-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-imidazol-1-ylpropylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen?

The IUPAC name of 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-imidazol-1-ylpropylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen (CID 159904715) is 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-imidazol-1-ylpropylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-imidazol-1-ylpropylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-imidazol-1-ylpropylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen is CNC(=O)c1ccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)cc1.O=C(Nc1cccc(-c2ccc(OC(F)(F)F)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1cccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)n1)C1(c2ccc(Cl)cc2)CCCCC1.O=C(Nc1cccc(-c2ccc(S(=O)(=O)NCCCn3ccnc3)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]-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-imidazol-1-ylpropylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen?

The InChIKey is NWKOZMPBEMHCKO-MXHAQYIASA-N. The full InChI is InChI=1S/C29H32ClN3O4S.C28H27N5O5S.C24H21N3O4.C23H17F3N2O4.4H2/c30-23-13-11-22(12-14-23)29(17-2-1-3-18-29)28(35)32-27-8-4-7-26(31-27)21-9-15-25(16-10-21)38(36,37)33-19-5-6-24(33)20-34;34-27(28(11-12-28)21-7-10-24-25(17-21)38-19-37-24)32-26-4-1-3-23(31-26)20-5-8-22(9-6-20)39(35,36)30-13-2-15-33-16-14-29-18-33;1-25-22(28)16-4-2-15(3-5-16)17-6-9-21(26-13-17)27-23(29)24(10-11-24)18-7-8-19-20(12-18)31-14-30-19;24-23(25,26)32-16-7-4-14(5-8-16)17-2-1-3-20(27-17)28-21(29)22(10-11-22)15-6-9-18-19(12-15)31-13-30-18;;;;/h4,7-16,24,34H,1-3,5-6,17-20H2,(H,31,32,35);1,3-10,14,16-18,30H,2,11-13,15,19H2,(H,31,32,34);2-9,12-13H,10-11,14H2,1H3,(H,25,28)(H,26,27,29);1-9,12H,10-11,13H2,(H,27,28,29);4*1H/t24-;;;;;;;/m1......./s1.

What are the key properties of 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-imidazol-1-ylpropylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen?

4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-imidazol-1-ylpropylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen has a molecular weight of 1965.64 g/mol, XLogP of 18.64, 27 rotatable bonds, 7 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]-3-pyridinyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-imidazol-1-ylpropylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclohexane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159904715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).