1-(1,3-benzodioxol-5-yl)-N-[6-(4-chloro-3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-fluorophenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-ethylbenzenesulfonamide;molecular hydrogen

C118H101Cl2FN8O18S — CID 157403417

About 1-(1,3-benzodioxol-5-yl)-N-[6-(4-chloro-3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-fluorophenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-ethylbenzenesulfonamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[6-(4-chloro-3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-fluorophenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-ethylbenzenesulfonamide;molecular hydrogen (PubChem CID 157403417) has the molecular formula C118H101Cl2FN8O18S and a molecular weight of 2041.11 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[6-(4-chloro-3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-fluorophenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-ethylbenzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-[6-(4-chloro-3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-fluorophenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-ethylbenzenesulfonamide;molecular hydrogen
• PubChem CID: 157403417
• Molecular Formula: C118H101Cl2FN8O18S
• Molecular Weight: 2041.11 g/mol
• Exact Mass: 2038.63
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[6-(4-chloro-3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-fluorophenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-ethylbenzenesulfonamide;molecular hydrogen
• SMILES: CCNS(=O)(=O)c1ccc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.Cc1cc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)ccc1Cl.O=C(Cc1ccc(-c2ccc3c(c2)CCO3)cn1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Cc1cccc(-c2ccccc2F)n1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1cccc(-c2ccc(Cl)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.[H][H]
• InChI: InChI=1S/C25H24N2O5S.C25H21NO4.C23H19ClN2O3.C23H18FNO3.C22H17ClN2O3.H2/c1-2-26-33(29,30)20-9-6-17(7-10-20)21-5-3-4-19(27-21)15-24(28)25(12-13-25)18-8-11-22-23(14-18)32-16-31-22;27-24(25(8-9-25)19-3-6-22-23(12-19)30-15-29-22)13-20-4-1-18(14-26-20)16-2-5-21-17(11-16)7-10-28-21;1-14-11-15(5-7-17(14)24)18-3-2-4-21(25-18)26-22(27)23(9-10-23)16-6-8-19-20(12-16)29-13-28-19;24-18-6-2-1-5-17(18)19-7-3-4-16(25-19)13-22(26)23(10-11-23)15-8-9-20-21(12-15)28-14-27-20;23-16-7-4-14(5-8-16)17-2-1-3-20(24-17)25-21(26)22(10-11-22)15-6-9-18-19(12-15)28-13-27-18;/h3-11,14,26H,2,12-13,15-16H2,1H3;1-6,11-12,14H,7-10,13,15H2;2-8,11-12H,9-10,13H2,1H3,(H,25,26,27);1-9,12H,10-11,13-14H2;1-9,12H,10-11,13H2,(H,24,25,26);1H
• InChIKey: BNLARHDBDZJGDL-UHFFFAOYSA-N
• XLogP: 22.49
• TPSA: 321.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 26
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2041.11
LogP ≤ 5	22.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-(4-chloro-3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-fluorophenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-ethylbenzenesulfonamide;molecular hydrogen?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-(4-chloro-3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-fluorophenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-ethylbenzenesulfonamide;molecular hydrogen (CID 157403417) is 1-(1,3-benzodioxol-5-yl)-N-[6-(4-chloro-3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-fluorophenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-ethylbenzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[6-(4-chloro-3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-fluorophenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-ethylbenzenesulfonamide;molecular hydrogen?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[6-(4-chloro-3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-fluorophenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-ethylbenzenesulfonamide;molecular hydrogen is CCNS(=O)(=O)c1ccc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.Cc1cc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)ccc1Cl.O=C(Cc1ccc(-c2ccc3c(c2)CCO3)cn1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Cc1cccc(-c2ccccc2F)n1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1cccc(-c2ccc(Cl)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[6-(4-chloro-3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-fluorophenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-ethylbenzenesulfonamide;molecular hydrogen?

The InChIKey is BNLARHDBDZJGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5S.C25H21NO4.C23H19ClN2O3.C23H18FNO3.C22H17ClN2O3.H2/c1-2-26-33(29,30)20-9-6-17(7-10-20)21-5-3-4-19(27-21)15-24(28)25(12-13-25)18-8-11-22-23(14-18)32-16-31-22;27-24(25(8-9-25)19-3-6-22-23(12-19)30-15-29-22)13-20-4-1-18(14-26-20)16-2-5-21-17(11-16)7-10-28-21;1-14-11-15(5-7-17(14)24)18-3-2-4-21(25-18)26-22(27)23(9-10-23)16-6-8-19-20(12-16)29-13-28-19;24-18-6-2-1-5-17(18)19-7-3-4-16(25-19)13-22(26)23(10-11-23)15-8-9-20-21(12-15)28-14-27-20;23-16-7-4-14(5-8-16)17-2-1-3-20(24-17)25-21(26)22(10-11-22)15-6-9-18-19(12-15)28-13-27-18;/h3-11,14,26H,2,12-13,15-16H2,1H3;1-6,11-12,14H,7-10,13,15H2;2-8,11-12H,9-10,13H2,1H3,(H,25,26,27);1-9,12H,10-11,13-14H2;1-9,12H,10-11,13H2,(H,24,25,26);1H.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[6-(4-chloro-3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-fluorophenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-ethylbenzenesulfonamide;molecular hydrogen?

1-(1,3-benzodioxol-5-yl)-N-[6-(4-chloro-3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-fluorophenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-ethylbenzenesulfonamide;molecular hydrogen has a molecular weight of 2041.11 g/mol, XLogP of 22.49, 26 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-[6-(4-chloro-3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-chlorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-fluorophenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-ethylbenzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 157403417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).