1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)cyclopropane-1-carboxamide;molecular hydrogen

C126H124Cl2F4N12O19S2 — CID 159283433

About 1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 159283433) has the molecular formula C126H124Cl2F4N12O19S2 and a molecular weight of 2321.47 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 159283433
• Molecular Formula: C126H124Cl2F4N12O19S2
• Molecular Weight: 2321.47 g/mol
• Exact Mass: 2318.79
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CC(C)c1cccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)c1.CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)n2)cc1.Cc1c(-c2ccc(CO)cc2)cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1C.Cc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ncc1-c1ccccc1Cl.O=C(Nc1cccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)n1)C1(c2ccc3c(c2)C(F)(F)OC(F)(F)O3)CC1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C28H25F4N3O6S.C25H26ClN3O3S.C25H24N2O4.C25H24N2O3.C23H19ClN2O3.3H2/c29-27(30)21-15-18(8-11-23(21)40-28(31,32)41-27)26(12-13-26)25(37)34-24-5-1-4-22(33-24)17-6-9-20(10-7-17)42(38,39)35-14-2-3-19(35)16-36;1-27-33(31,32)21-14-8-18(9-15-21)22-6-5-7-23(28-22)29-24(30)25(16-3-2-4-17-25)19-10-12-20(26)13-11-19;1-15-16(2)23(26-12-20(15)18-5-3-17(13-28)4-6-18)27-24(29)25(9-10-25)19-7-8-21-22(11-19)31-14-30-21;1-16(2)17-4-3-5-18(12-17)19-6-9-23(26-14-19)27-24(28)25(10-11-25)20-7-8-21-22(13-20)30-15-29-21;1-14-10-21(25-12-17(14)16-4-2-3-5-18(16)24)26-22(27)23(8-9-23)15-6-7-19-20(11-15)29-13-28-19;;;/h1,4-11,15,19,36H,2-3,12-14,16H2,(H,33,34,37);5-15,27H,2-4,16-17H2,1H3,(H,28,29,30);3-8,11-12,28H,9-10,13-14H2,1-2H3,(H,26,27,29);3-9,12-14,16H,10-11,15H2,1-2H3,(H,26,27,28);2-7,10-12H,8-9,13H2,1H3,(H,25,26,27);3*1H/t19-;;;;;;;/m1......./s1
• InChIKey: KZFAENVWVITETH-FKZBUNKQSA-N
• XLogP: 25.10
• TPSA: 407.80 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2321.47
LogP ≤ 5	25.10
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)cyclopropane-1-carboxamide;molecular hydrogen (CID 159283433) is 1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)cyclopropane-1-carboxamide;molecular hydrogen is CC(C)c1cccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)c1.CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)n2)cc1.Cc1c(-c2ccc(CO)cc2)cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1C.Cc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ncc1-c1ccccc1Cl.O=C(Nc1cccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)n1)C1(c2ccc3c(c2)C(F)(F)OC(F)(F)O3)CC1.[H][H].[H][H].[H][H].

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is KZFAENVWVITETH-FKZBUNKQSA-N. The full InChI is InChI=1S/C28H25F4N3O6S.C25H26ClN3O3S.C25H24N2O4.C25H24N2O3.C23H19ClN2O3.3H2/c29-27(30)21-15-18(8-11-23(21)40-28(31,32)41-27)26(12-13-26)25(37)34-24-5-1-4-22(33-24)17-6-9-20(10-7-17)42(38,39)35-14-2-3-19(35)16-36;1-27-33(31,32)21-14-8-18(9-15-21)22-6-5-7-23(28-22)29-24(30)25(16-3-2-4-17-25)19-10-12-20(26)13-11-19;1-15-16(2)23(26-12-20(15)18-5-3-17(13-28)4-6-18)27-24(29)25(9-10-25)19-7-8-21-22(11-19)31-14-30-21;1-16(2)17-4-3-5-18(12-17)19-6-9-23(26-14-19)27-24(28)25(10-11-25)20-7-8-21-22(13-20)30-15-29-21;1-14-10-21(25-12-17(14)16-4-2-3-5-18(16)24)26-22(27)23(8-9-23)15-6-7-19-20(11-15)29-13-28-19;;;/h1,4-11,15,19,36H,2-3,12-14,16H2,(H,33,34,37);5-15,27H,2-4,16-17H2,1H3,(H,28,29,30);3-8,11-12,28H,9-10,13-14H2,1-2H3,(H,26,27,29);3-9,12-14,16H,10-11,15H2,1-2H3,(H,26,27,28);2-7,10-12H,8-9,13H2,1H3,(H,25,26,27);3*1H/t19-;;;;;;;/m1......./s1.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)cyclopropane-1-carboxamide;molecular hydrogen?

1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2321.47 g/mol, XLogP of 25.10, 27 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclohexane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159283433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).