N-[6-(4-acetylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-ethyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxy-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-4-methoxybenzoic acid;molecular hydrogen

C127H116F8N6O25 — CID 158176092

About N-[6-(4-acetylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-ethyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxy-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-4-methoxybenzoic acid;molecular hydrogen

N-[6-(4-acetylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-ethyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxy-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-4-methoxybenzoic acid;molecular hydrogen (PubChem CID 158176092) has the molecular formula C127H116F8N6O25 and a molecular weight of 2278.33 g/mol. Its IUPAC name is N-[6-(4-acetylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-ethyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxy-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-4-methoxybenzoic acid;molecular hydrogen.

Molecular Properties

• Compound Name: N-[6-(4-acetylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-ethyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxy-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-4-methoxybenzoic acid;molecular hydrogen
• PubChem CID: 158176092
• Molecular Formula: C127H116F8N6O25
• Molecular Weight: 2278.33 g/mol
• Exact Mass: 2276.79
• IUPAC Name: N-[6-(4-acetylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-ethyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxy-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-4-methoxybenzoic acid;molecular hydrogen
• SMILES: CCc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1.COc1ccc(C(=O)O)cc1-c1nc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)ccc1C.COc1ccc(C2(C(=O)Nc3ccc(C)c(-c4ccc(C(C)=O)cc4)n3)CC2)cc1.COc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1.Cc1cc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc(-c2ccc(C(=O)O)cc2)c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H21F2NO6.C26H21F2NO5.C25H19F2NO6.C25H19F2NO5.C25H24N2O3.6H2/c1-14-3-6-17(29-23(14)18-11-15(24(31)32)4-7-19(18)33-2)13-22(30)25(9-10-25)16-5-8-20-21(12-16)35-26(27,28)34-20;1-2-15-6-8-19(29-23(15)16-4-3-5-17(12-16)24(31)32)14-22(30)25(10-11-25)18-7-9-20-21(13-18)34-26(27,28)33-20;1-32-19-8-6-17(28-22(19)14-3-2-4-15(11-14)23(30)31)13-21(29)24(9-10-24)16-5-7-18-20(12-16)34-25(26,27)33-18;1-14-10-18(28-19(11-14)15-2-4-16(5-3-15)23(30)31)13-22(29)24(8-9-24)17-6-7-20-21(12-17)33-25(26,27)32-20;1-16-4-13-22(26-23(16)19-7-5-18(6-8-19)17(2)28)27-24(29)25(14-15-25)20-9-11-21(30-3)12-10-20;;;;;;/h3-8,11-12H,9-10,13H2,1-2H3,(H,31,32);3-9,12-13H,2,10-11,14H2,1H3,(H,31,32);2-8,11-12H,9-10,13H2,1H3,(H,30,31);2-7,10-12H,8-9,13H2,1H3,(H,30,31);4-13H,14-15H2,1-3H3,(H,26,27,29);6*1H
• InChIKey: FYABFUVKYQCUPU-UHFFFAOYSA-N
• XLogP: 26.06
• TPSA: 429.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 33
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2278.33
LogP ≤ 5	26.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-ethyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxy-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-4-methoxybenzoic acid;molecular hydrogen?

The IUPAC name of N-[6-(4-acetylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-ethyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxy-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-4-methoxybenzoic acid;molecular hydrogen (CID 158176092) is N-[6-(4-acetylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-ethyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxy-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-4-methoxybenzoic acid;molecular hydrogen.

What is the SMILES notation for N-[6-(4-acetylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-ethyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxy-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-4-methoxybenzoic acid;molecular hydrogen?

The canonical SMILES for N-[6-(4-acetylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-ethyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxy-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-4-methoxybenzoic acid;molecular hydrogen is CCc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1.COc1ccc(C(=O)O)cc1-c1nc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)ccc1C.COc1ccc(C2(C(=O)Nc3ccc(C)c(-c4ccc(C(C)=O)cc4)n3)CC2)cc1.COc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1.Cc1cc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc(-c2ccc(C(=O)O)cc2)c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of N-[6-(4-acetylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-ethyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxy-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-4-methoxybenzoic acid;molecular hydrogen?

The InChIKey is FYABFUVKYQCUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2NO6.C26H21F2NO5.C25H19F2NO6.C25H19F2NO5.C25H24N2O3.6H2/c1-14-3-6-17(29-23(14)18-11-15(24(31)32)4-7-19(18)33-2)13-22(30)25(9-10-25)16-5-8-20-21(12-16)35-26(27,28)34-20;1-2-15-6-8-19(29-23(15)16-4-3-5-17(12-16)24(31)32)14-22(30)25(10-11-25)18-7-9-20-21(13-18)34-26(27,28)33-20;1-32-19-8-6-17(28-22(19)14-3-2-4-15(11-14)23(30)31)13-21(29)24(9-10-24)16-5-7-18-20(12-16)34-25(26,27)33-18;1-14-10-18(28-19(11-14)15-2-4-16(5-3-15)23(30)31)13-22(29)24(8-9-24)17-6-7-20-21(12-17)33-25(26,27)32-20;1-16-4-13-22(26-23(16)19-7-5-18(6-8-19)17(2)28)27-24(29)25(14-15-25)20-9-11-21(30-3)12-10-20;;;;;;/h3-8,11-12H,9-10,13H2,1-2H3,(H,31,32);3-9,12-13H,2,10-11,14H2,1H3,(H,31,32);2-8,11-12H,9-10,13H2,1H3,(H,30,31);2-7,10-12H,8-9,13H2,1H3,(H,30,31);4-13H,14-15H2,1-3H3,(H,26,27,29);6*1H.

What are the key properties of N-[6-(4-acetylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-ethyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxy-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-4-methoxybenzoic acid;molecular hydrogen?

N-[6-(4-acetylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-ethyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxy-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-4-methoxybenzoic acid;molecular hydrogen has a molecular weight of 2278.33 g/mol, XLogP of 26.06, 33 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(4-acetylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-ethyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methoxy-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-2-pyridinyl]benzoic acid;3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-4-methoxybenzoic acid;molecular hydrogen is sourced from PubChem (CID 158176092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).