4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide

C119H106FN11O19 — CID 157147038

About 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide

4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 157147038) has the molecular formula C119H106FN11O19 and a molecular weight of 2013.21 g/mol. Its IUPAC name is 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
• PubChem CID: 157147038
• Molecular Formula: C119H106FN11O19
• Molecular Weight: 2013.21 g/mol
• Exact Mass: 2011.77
• IUPAC Name: 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
• SMILES: CN(C)C(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.COc1ccc(F)cc1-c1cccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)n1.COc1ccccc1-c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1.Cc1cc(C)c(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)c(C)c1.O=C(Nc1ccc(-c2cccc(CO)c2)cn1)C1(c2ccc3c(c2)OCO3)CC1
• InChI: InChI=1S/C25H23N3O4.C25H24N2O3.C23H19FN2O4.2C23H20N2O4/c1-28(2)23(29)17-8-6-16(7-9-17)19-4-3-5-22(26-19)27-24(30)25(12-13-25)18-10-11-20-21(14-18)32-15-31-20;1-15-11-16(2)23(17(3)12-15)19-5-4-6-22(26-19)27-24(28)25(9-10-25)18-7-8-20-21(13-18)30-14-29-20;1-28-18-8-6-15(24)12-16(18)17-3-2-4-21(25-17)26-22(27)23(9-10-23)14-5-7-19-20(11-14)30-13-29-19;1-27-18-5-3-2-4-17(18)15-6-9-21(24-13-15)25-22(26)23(10-11-23)16-7-8-19-20(12-16)29-14-28-19;26-13-15-2-1-3-16(10-15)17-4-7-21(24-12-17)25-22(27)23(8-9-23)18-5-6-19-20(11-18)29-14-28-19/h3-11,14H,12-13,15H2,1-2H3,(H,26,27,30);4-8,11-13H,9-10,14H2,1-3H3,(H,26,27,28);2-8,11-12H,9-10,13H2,1H3,(H,25,26,27);2-9,12-13H,10-11,14H2,1H3,(H,24,25,26);1-7,10-12,26H,8-9,13-14H2,(H,24,25,27)
• InChIKey: AKVBYXLAGNWUJE-UHFFFAOYSA-N
• XLogP: 21.01
• TPSA: 361.25 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2013.21
LogP ≤ 5	21.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?

The IUPAC name of 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide (CID 157147038) is 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?

The canonical SMILES for 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide is CN(C)C(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.COc1ccc(F)cc1-c1cccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)n1.COc1ccccc1-c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1.Cc1cc(C)c(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)c(C)c1.O=C(Nc1ccc(-c2cccc(CO)c2)cn1)C1(c2ccc3c(c2)OCO3)CC1.

What is the InChIKey of 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?

The InChIKey is AKVBYXLAGNWUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4.C25H24N2O3.C23H19FN2O4.2C23H20N2O4/c1-28(2)23(29)17-8-6-16(7-9-17)19-4-3-5-22(26-19)27-24(30)25(12-13-25)18-10-11-20-21(14-18)32-15-31-20;1-15-11-16(2)23(17(3)12-15)19-5-4-6-22(26-19)27-24(28)25(9-10-25)18-7-8-20-21(13-18)30-14-29-20;1-28-18-8-6-15(24)12-16(18)17-3-2-4-21(25-17)26-22(27)23(9-10-23)14-5-7-19-20(11-14)30-13-29-19;1-27-18-5-3-2-4-17(18)15-6-9-21(24-13-15)25-22(26)23(10-11-23)16-7-8-19-20(12-16)29-14-28-19;26-13-15-2-1-3-16(10-15)17-4-7-21(24-12-17)25-22(27)23(8-9-23)18-5-6-19-20(11-18)29-14-28-19/h3-11,14H,12-13,15H2,1-2H3,(H,26,27,30);4-8,11-13H,9-10,14H2,1-3H3,(H,26,27,28);2-8,11-12H,9-10,13H2,1H3,(H,25,26,27);2-9,12-13H,10-11,14H2,1H3,(H,24,25,26);1-7,10-12,26H,8-9,13-14H2,(H,24,25,27).

What are the key properties of 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?

4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 2013.21 g/mol, XLogP of 21.01, 24 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 157147038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).