N-[6-(4-aminophenyl)-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-fluorobenzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-ium-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide

C123H107F6N10O23S+ — CID 159779836

About N-[6-(4-aminophenyl)-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-fluorobenzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-ium-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide

N-[6-(4-aminophenyl)-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-fluorobenzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-ium-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 159779836) has the molecular formula C123H107F6N10O23S+ and a molecular weight of 2239.31 g/mol. Its IUPAC name is N-[6-(4-aminophenyl)-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-fluorobenzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-ium-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[6-(4-aminophenyl)-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-fluorobenzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-ium-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide
• PubChem CID: 159779836
• Molecular Formula: C123H107F6N10O23S+
• Molecular Weight: 2239.31 g/mol
• Exact Mass: 2237.71
• IUPAC Name: N-[6-(4-aminophenyl)-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-fluorobenzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-ium-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide
• SMILES: COCc1cc(C2(C(=O)Nc3cccc(-c4ccc(S(=O)(=O)[NH+]5CCC[C@@H]5CO)cc4)n3)CC2)ccc1OC.COc1ncccc1-c1cccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)n1.Nc1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.O=C(O)c1cc(F)cc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)c1.O=C(O)c1cccc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C(F)(F)F)c1
• InChI: InChI=1S/C29H33N3O6S.C25H16F5NO5.C24H18FNO5.C23H20N2O4.C22H19N3O3/c1-37-19-21-17-22(10-13-26(21)38-2)29(14-15-29)28(34)31-27-7-3-6-25(30-27)20-8-11-24(12-9-20)39(35,36)32-16-4-5-23(32)18-33;26-24(27,28)17-6-5-16(31-21(17)13-2-1-3-14(10-13)22(33)34)12-20(32)23(8-9-23)15-4-7-18-19(11-15)36-25(29,30)35-18;25-17-9-14(8-15(10-17)23(28)29)19-3-1-2-18(26-19)12-22(27)24(6-7-24)16-4-5-20-21(11-16)31-13-30-20;1-27-22-17(5-3-11-24-22)18-6-2-4-16(25-18)13-21(26)23(9-10-23)15-7-8-19-20(12-15)29-14-28-19;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/h3,6-13,17,23,33H,4-5,14-16,18-19H2,1-2H3,(H,30,31,34);1-7,10-11H,8-9,12H2,(H,33,34);1-5,8-11H,6-7,12-13H2,(H,28,29);2-8,11-12H,9-10,13-14H2,1H3;1-9,12H,10-11,13,23H2,(H,24,25,26)/p+1/t23-;;;;/m1..../s1
• InChIKey: CQBXVTMJFXDUOR-SKROYXCESA-O
• XLogP: 19.54
• TPSA: 447.71 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 32
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2239.31
LogP ≤ 5	19.54
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-aminophenyl)-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-fluorobenzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-ium-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide?

The IUPAC name of N-[6-(4-aminophenyl)-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-fluorobenzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-ium-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide (CID 159779836) is N-[6-(4-aminophenyl)-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-fluorobenzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-ium-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide.

What is the SMILES notation for N-[6-(4-aminophenyl)-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-fluorobenzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-ium-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide?

The canonical SMILES for N-[6-(4-aminophenyl)-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-fluorobenzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-ium-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide is COCc1cc(C2(C(=O)Nc3cccc(-c4ccc(S(=O)(=O)[NH+]5CCC[C@@H]5CO)cc4)n3)CC2)ccc1OC.COc1ncccc1-c1cccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)n1.Nc1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.O=C(O)c1cc(F)cc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)c1.O=C(O)c1cccc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C(F)(F)F)c1.

What is the InChIKey of N-[6-(4-aminophenyl)-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-fluorobenzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-ium-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide?

The InChIKey is CQBXVTMJFXDUOR-SKROYXCESA-O. The full InChI is InChI=1S/C29H33N3O6S.C25H16F5NO5.C24H18FNO5.C23H20N2O4.C22H19N3O3/c1-37-19-21-17-22(10-13-26(21)38-2)29(14-15-29)28(34)31-27-7-3-6-25(30-27)20-8-11-24(12-9-20)39(35,36)32-16-4-5-23(32)18-33;26-24(27,28)17-6-5-16(31-21(17)13-2-1-3-14(10-13)22(33)34)12-20(32)23(8-9-23)15-4-7-18-19(11-15)36-25(29,30)35-18;25-17-9-14(8-15(10-17)23(28)29)19-3-1-2-18(26-19)12-22(27)24(6-7-24)16-4-5-20-21(11-16)31-13-30-20;1-27-22-17(5-3-11-24-22)18-6-2-4-16(25-18)13-21(26)23(9-10-23)15-7-8-19-20(12-15)29-14-28-19;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/h3,6-13,17,23,33H,4-5,14-16,18-19H2,1-2H3,(H,30,31,34);1-7,10-11H,8-9,12H2,(H,33,34);1-5,8-11H,6-7,12-13H2,(H,28,29);2-8,11-12H,9-10,13-14H2,1H3;1-9,12H,10-11,13,23H2,(H,24,25,26)/p+1/t23-;;;;/m1..../s1.

What are the key properties of N-[6-(4-aminophenyl)-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-fluorobenzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-ium-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide?

N-[6-(4-aminophenyl)-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-fluorobenzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-ium-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 2239.31 g/mol, XLogP of 19.54, 32 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(4-aminophenyl)-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-5-fluorobenzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]benzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-ium-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 159779836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).