4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(dimethylamino)phenyl]pyrazin-2-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;molecular hydrogen

C118H110N14O20S — CID 157231111

About 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(dimethylamino)phenyl]pyrazin-2-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;molecular hydrogen

4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(dimethylamino)phenyl]pyrazin-2-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 157231111) has the molecular formula C118H110N14O20S and a molecular weight of 2076.32 g/mol. Its IUPAC name is 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(dimethylamino)phenyl]pyrazin-2-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(dimethylamino)phenyl]pyrazin-2-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 157231111
• Molecular Formula: C118H110N14O20S
• Molecular Weight: 2076.32 g/mol
• Exact Mass: 2074.77
• IUPAC Name: 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(dimethylamino)phenyl]pyrazin-2-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CN(C)c1ccc(-c2cncc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.O=C(Nc1ccc(-c2ccccc2)cn1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1cccc(-c2ccc(CN3CCOCC3)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.O=C(O)c1ccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)cc1.[H][H].[H][H]
• InChI: InChI=1S/C27H27N3O4.C23H22N4O3.C23H21N3O5S.C23H18N2O5.C22H18N2O3.2H2/c31-26(27(10-11-27)21-8-9-23-24(16-21)34-18-33-23)29-25-3-1-2-22(28-25)20-6-4-19(5-7-20)17-30-12-14-32-15-13-30;1-27(2)17-6-3-15(4-7-17)18-12-24-13-21(25-18)26-22(28)23(9-10-23)16-5-8-19-20(11-16)30-14-29-19;1-24-32(28,29)17-8-5-15(6-9-17)18-3-2-4-21(25-18)26-22(27)23(11-12-23)16-7-10-19-20(13-16)31-14-30-19;26-21(27)15-3-1-14(2-4-15)16-5-8-20(24-12-16)25-22(28)23(9-10-23)17-6-7-18-19(11-17)30-13-29-18;25-21(22(10-11-22)17-7-8-18-19(12-17)27-14-26-18)24-20-9-6-16(13-23-20)15-4-2-1-3-5-15;;/h1-9,16H,10-15,17-18H2,(H,28,29,31);3-8,11-13H,9-10,14H2,1-2H3,(H,25,26,28);2-10,13,24H,11-12,14H2,1H3,(H,25,26,27);1-8,11-12H,9-10,13H2,(H,26,27)(H,24,25,28);1-9,12-13H,10-11,14H2,(H,23,24,25);2*1H
• InChIKey: AUCNFCYYIULLTA-UHFFFAOYSA-N
• XLogP: 19.13
• TPSA: 414.32 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2076.32
LogP ≤ 5	19.13
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(dimethylamino)phenyl]pyrazin-2-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(dimethylamino)phenyl]pyrazin-2-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;molecular hydrogen (CID 157231111) is 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(dimethylamino)phenyl]pyrazin-2-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(dimethylamino)phenyl]pyrazin-2-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(dimethylamino)phenyl]pyrazin-2-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;molecular hydrogen is CN(C)c1ccc(-c2cncc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.O=C(Nc1ccc(-c2ccccc2)cn1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1cccc(-c2ccc(CN3CCOCC3)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.O=C(O)c1ccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)cc1.[H][H].[H][H].

What is the InChIKey of 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(dimethylamino)phenyl]pyrazin-2-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is AUCNFCYYIULLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4.C23H22N4O3.C23H21N3O5S.C23H18N2O5.C22H18N2O3.2H2/c31-26(27(10-11-27)21-8-9-23-24(16-21)34-18-33-23)29-25-3-1-2-22(28-25)20-6-4-19(5-7-20)17-30-12-14-32-15-13-30;1-27(2)17-6-3-15(4-7-17)18-12-24-13-21(25-18)26-22(28)23(9-10-23)16-5-8-19-20(11-16)30-14-29-19;1-24-32(28,29)17-8-5-15(6-9-17)18-3-2-4-21(25-18)26-22(27)23(11-12-23)16-7-10-19-20(13-16)31-14-30-19;26-21(27)15-3-1-14(2-4-15)16-5-8-20(24-12-16)25-22(28)23(9-10-23)17-6-7-18-19(11-17)30-13-29-18;25-21(22(10-11-22)17-7-8-18-19(12-17)27-14-26-18)24-20-9-6-16(13-23-20)15-4-2-1-3-5-15;;/h1-9,16H,10-15,17-18H2,(H,28,29,31);3-8,11-13H,9-10,14H2,1-2H3,(H,25,26,28);2-10,13,24H,11-12,14H2,1H3,(H,25,26,27);1-8,11-12H,9-10,13H2,(H,26,27)(H,24,25,28);1-9,12-13H,10-11,14H2,(H,23,24,25);2*1H.

What are the key properties of 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(dimethylamino)phenyl]pyrazin-2-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;molecular hydrogen?

4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(dimethylamino)phenyl]pyrazin-2-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2076.32 g/mol, XLogP of 19.13, 26 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(dimethylamino)phenyl]pyrazin-2-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 157231111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).