1-(1,3-benzodioxol-5-yl)-N-[5-[4-[dihydroxy(methylamino)-λ4-sulfanyl]phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(6-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide

C121H112F3N11O19S — CID 158039797

About 1-(1,3-benzodioxol-5-yl)-N-[5-[4-[dihydroxy(methylamino)-λ4-sulfanyl]phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(6-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-[5-[4-[dihydroxy(methylamino)-λ4-sulfanyl]phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(6-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 158039797) has the molecular formula C121H112F3N11O19S and a molecular weight of 2113.35 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[5-[4-[dihydroxy(methylamino)-λ4-sulfanyl]phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(6-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-[5-[4-[dihydroxy(methylamino)-λ4-sulfanyl]phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(6-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
• PubChem CID: 158039797
• Molecular Formula: C121H112F3N11O19S
• Molecular Weight: 2113.35 g/mol
• Exact Mass: 2111.78
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[5-[4-[dihydroxy(methylamino)-λ4-sulfanyl]phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(6-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
• SMILES: CNS(O)(O)c1ccc(-c2cnc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2C)cc1.Cc1c(-c2ccc(C(C)C)cc2)cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1C.Cc1nc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1-c1cccc(CO)c1.Cc1nc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1-c1ccccc1.O=C(Nc1cccc(-c2ccc(OC(F)(F)F)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1
• InChI: InChI=1S/C27H28N2O3.C24H25N3O5S.C24H22N2O4.C23H17F3N2O4.C23H20N2O3/c1-16(2)19-5-7-20(8-6-19)22-14-28-25(18(4)17(22)3)29-26(30)27(11-12-27)21-9-10-23-24(13-21)32-15-31-23;1-15-11-22(26-13-19(15)16-3-6-18(7-4-16)33(29,30)25-2)27-23(28)24(9-10-24)17-5-8-20-21(12-17)32-14-31-20;1-15-19(17-4-2-3-16(11-17)13-27)6-8-22(25-15)26-23(28)24(9-10-24)18-5-7-20-21(12-18)30-14-29-20;24-23(25,26)32-16-7-4-14(5-8-16)17-2-1-3-20(27-17)28-21(29)22(10-11-22)15-6-9-18-19(12-15)31-13-30-18;1-15-18(16-5-3-2-4-6-16)8-10-21(24-15)25-22(26)23(11-12-23)17-7-9-19-20(13-17)28-14-27-19/h5-10,13-14,16H,11-12,15H2,1-4H3,(H,28,29,30);3-8,11-13,25,29-30H,9-10,14H2,1-2H3,(H,26,27,28);2-8,11-12,27H,9-10,13-14H2,1H3,(H,25,26,28);1-9,12H,10-11,13H2,(H,27,28,29);2-10,13H,11-12,14H2,1H3,(H,24,25,26)
• InChIKey: FIFAXGFSWRRIGL-UHFFFAOYSA-N
• XLogP: 24.04
• TPSA: 384.20 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2113.35
LogP ≤ 5	24.04
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[5-[4-[dihydroxy(methylamino)-λ4-sulfanyl]phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(6-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[5-[4-[dihydroxy(methylamino)-λ4-sulfanyl]phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(6-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide (CID 158039797) is 1-(1,3-benzodioxol-5-yl)-N-[5-[4-[dihydroxy(methylamino)-λ4-sulfanyl]phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(6-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[5-[4-[dihydroxy(methylamino)-λ4-sulfanyl]phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(6-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[5-[4-[dihydroxy(methylamino)-λ4-sulfanyl]phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(6-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide is CNS(O)(O)c1ccc(-c2cnc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2C)cc1.Cc1c(-c2ccc(C(C)C)cc2)cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1C.Cc1nc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1-c1cccc(CO)c1.Cc1nc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1-c1ccccc1.O=C(Nc1cccc(-c2ccc(OC(F)(F)F)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[5-[4-[dihydroxy(methylamino)-λ4-sulfanyl]phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(6-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide?

The InChIKey is FIFAXGFSWRRIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3.C24H25N3O5S.C24H22N2O4.C23H17F3N2O4.C23H20N2O3/c1-16(2)19-5-7-20(8-6-19)22-14-28-25(18(4)17(22)3)29-26(30)27(11-12-27)21-9-10-23-24(13-21)32-15-31-23;1-15-11-22(26-13-19(15)16-3-6-18(7-4-16)33(29,30)25-2)27-23(28)24(9-10-24)17-5-8-20-21(12-17)32-14-31-20;1-15-19(17-4-2-3-16(11-17)13-27)6-8-22(25-15)26-23(28)24(9-10-24)18-5-7-20-21(12-18)30-14-29-20;24-23(25,26)32-16-7-4-14(5-8-16)17-2-1-3-20(27-17)28-21(29)22(10-11-22)15-6-9-18-19(12-15)31-13-30-18;1-15-18(16-5-3-2-4-6-16)8-10-21(24-15)25-22(26)23(11-12-23)17-7-9-19-20(13-17)28-14-27-19/h5-10,13-14,16H,11-12,15H2,1-4H3,(H,28,29,30);3-8,11-13,25,29-30H,9-10,14H2,1-2H3,(H,26,27,28);2-8,11-12,27H,9-10,13-14H2,1H3,(H,25,26,28);1-9,12H,10-11,13H2,(H,27,28,29);2-10,13H,11-12,14H2,1H3,(H,24,25,26).

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[5-[4-[dihydroxy(methylamino)-λ4-sulfanyl]phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(6-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide?

1-(1,3-benzodioxol-5-yl)-N-[5-[4-[dihydroxy(methylamino)-λ4-sulfanyl]phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(6-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 2113.35 g/mol, XLogP of 24.04, 25 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-[5-[4-[dihydroxy(methylamino)-λ4-sulfanyl]phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(6-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 158039797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).