1-(1,3-benzodioxol-5-yl)-N-[6-(2-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;methyl 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoate;molecular hydrogen

C140H120ClF3N16O23 — CID 160575751

About 1-(1,3-benzodioxol-5-yl)-N-[6-(2-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;methyl 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoate;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[6-(2-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;methyl 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoate;molecular hydrogen (PubChem CID 160575751) has the molecular formula C140H120ClF3N16O23 and a molecular weight of 2487.04 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[6-(2-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;methyl 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoate;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-[6-(2-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;methyl 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoate;molecular hydrogen
• PubChem CID: 160575751
• Molecular Formula: C140H120ClF3N16O23
• Molecular Weight: 2487.04 g/mol
• Exact Mass: 2484.84
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[6-(2-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;methyl 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoate;molecular hydrogen
• SMILES: COC(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.COc1ncc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)c(OC)n1.Cc1cccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)c1.O=C(NCc1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1)C(F)(F)F.O=C(Nc1ccc(-c2ccc3[nH]ccc3c2)cn1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1cccc(-c2ccccc2Cl)n1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H]
• InChI: InChI=1S/C25H20F3N3O4.C24H19N3O3.C24H20N2O5.C23H20N2O3.C22H17ClN2O3.C22H20N4O5.2H2/c26-25(27,28)23(33)29-13-15-4-6-16(7-5-15)18-2-1-3-21(30-18)31-22(32)24(10-11-24)17-8-9-19-20(12-17)35-14-34-19;28-23(24(8-9-24)18-3-5-20-21(12-18)30-14-29-20)27-22-6-2-17(13-26-22)15-1-4-19-16(11-15)7-10-25-19;1-29-22(27)16-7-5-15(6-8-16)18-3-2-4-21(25-18)26-23(28)24(11-12-24)17-9-10-19-20(13-17)31-14-30-19;1-15-3-2-4-16(11-15)17-5-8-21(24-13-17)25-22(26)23(9-10-23)18-6-7-19-20(12-18)28-14-27-19;23-16-5-2-1-4-15(16)17-6-3-7-20(24-17)25-21(26)22(10-11-22)14-8-9-18-19(12-14)28-13-27-18;1-28-19-14(11-23-21(26-19)29-2)15-4-3-5-18(24-15)25-20(27)22(8-9-22)13-6-7-16-17(10-13)31-12-30-16;;/h1-9,12H,10-11,13-14H2,(H,29,33)(H,30,31,32);1-7,10-13,25H,8-9,14H2,(H,26,27,28);2-10,13H,11-12,14H2,1H3,(H,25,26,28);2-8,11-13H,9-10,14H2,1H3,(H,24,25,26);1-9,12H,10-11,13H2,(H,24,25,26);3-7,10-11H,8-9,12H2,1-2H3,(H,24,25,27);2*1H
• InChIKey: RBCXVDQKQVHQCC-UHFFFAOYSA-N
• XLogP: 25.59
• TPSA: 478.13 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 29
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2487.04
LogP ≤ 5	25.59
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-(2-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;methyl 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoate;molecular hydrogen?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-(2-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;methyl 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoate;molecular hydrogen (CID 160575751) is 1-(1,3-benzodioxol-5-yl)-N-[6-(2-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;methyl 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoate;molecular hydrogen.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[6-(2-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;methyl 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoate;molecular hydrogen?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[6-(2-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;methyl 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoate;molecular hydrogen is COC(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.COc1ncc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)c(OC)n1.Cc1cccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)c1.O=C(NCc1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1)C(F)(F)F.O=C(Nc1ccc(-c2ccc3[nH]ccc3c2)cn1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1cccc(-c2ccccc2Cl)n1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[6-(2-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;methyl 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoate;molecular hydrogen?

The InChIKey is RBCXVDQKQVHQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O4.C24H19N3O3.C24H20N2O5.C23H20N2O3.C22H17ClN2O3.C22H20N4O5.2H2/c26-25(27,28)23(33)29-13-15-4-6-16(7-5-15)18-2-1-3-21(30-18)31-22(32)24(10-11-24)17-8-9-19-20(12-17)35-14-34-19;28-23(24(8-9-24)18-3-5-20-21(12-18)30-14-29-20)27-22-6-2-17(13-26-22)15-1-4-19-16(11-15)7-10-25-19;1-29-22(27)16-7-5-15(6-8-16)18-3-2-4-21(25-18)26-23(28)24(11-12-24)17-9-10-19-20(13-17)31-14-30-19;1-15-3-2-4-16(11-15)17-5-8-21(24-13-17)25-22(26)23(9-10-23)18-6-7-19-20(12-18)28-14-27-19;23-16-5-2-1-4-15(16)17-6-3-7-20(24-17)25-21(26)22(10-11-22)14-8-9-18-19(12-14)28-13-27-18;1-28-19-14(11-23-21(26-19)29-2)15-4-3-5-18(24-15)25-20(27)22(8-9-22)13-6-7-16-17(10-13)31-12-30-16;;/h1-9,12H,10-11,13-14H2,(H,29,33)(H,30,31,32);1-7,10-13,25H,8-9,14H2,(H,26,27,28);2-10,13H,11-12,14H2,1H3,(H,25,26,28);2-8,11-13H,9-10,14H2,1H3,(H,24,25,26);1-9,12H,10-11,13H2,(H,24,25,26);3-7,10-11H,8-9,12H2,1-2H3,(H,24,25,27);2*1H.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[6-(2-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;methyl 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoate;molecular hydrogen?

1-(1,3-benzodioxol-5-yl)-N-[6-(2-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;methyl 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoate;molecular hydrogen has a molecular weight of 2487.04 g/mol, XLogP of 25.59, 29 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-[6-(2-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;methyl 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoate;molecular hydrogen is sourced from PubChem (CID 160575751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).