bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(1-oxidopyridin-1-ium-3-yl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

C122H132F15N13O11 — CID 158783867

About bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(1-oxidopyridin-1-ium-3-yl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(1-oxidopyridin-1-ium-3-yl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (PubChem CID 158783867) has the molecular formula C122H132F15N13O11 and a molecular weight of 2241.45 g/mol. Its IUPAC name is bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(1-oxidopyridin-1-ium-3-yl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

Molecular Properties

• Compound Name: bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(1-oxidopyridin-1-ium-3-yl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
• PubChem CID: 158783867
• Molecular Formula: C122H132F15N13O11
• Molecular Weight: 2241.45 g/mol
• Exact Mass: 2239.99
• IUPAC Name: bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(1-oxidopyridin-1-ium-3-yl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
• SMILES: CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccc(C#N)nc2)CC1.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccc[n+]([O-])c3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccnc(C#N)c3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccnc(C#N)c3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccncc3)CC2)C2CC2)cc1)C(F)(F)F
• InChI: InChI=1S/2C25H26F3N3O2.C24H26F3N3O2.C24H27F3N2O3.C24H27F3N2O2/c2*1-24(33,25(26,27)28)19-6-2-17(3-7-19)23(32)31(22-10-11-22)21-8-4-16(5-9-21)18-12-13-30-20(14-18)15-29;1-3-30(21-12-7-16(8-13-21)18-6-11-20(14-28)29-15-18)22(31)17-4-9-19(10-5-17)23(2,32)24(25,26)27;1-23(31,24(25,26)27)19-8-4-17(5-9-19)22(30)29(21-12-13-21)20-10-6-16(7-11-20)18-3-2-14-28(32)15-18;1-23(31,24(25,26)27)19-6-2-18(3-7-19)22(30)29(21-10-11-21)20-8-4-16(5-9-20)17-12-14-28-15-13-17/h2*2-3,6-7,12-14,16,21-22,33H,4-5,8-11H2,1H3;4-6,9-11,15-16,21,32H,3,7-8,12-13H2,1-2H3;2-5,8-9,14-16,20-21,31H,6-7,10-13H2,1H3;2-3,6-7,12-16,20-21,31H,4-5,8-11H2,1H3/t2*16?,21?,24-;16?,21?,23-;2*16?,20?,23-/m00000/s1
• InChIKey: IRKUQGHRZFXCDW-DHJFJDEESA-N
• XLogP: 24.62
• TPSA: 352.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2241.45
LogP ≤ 5	24.62
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(1-oxidopyridin-1-ium-3-yl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?

The IUPAC name of bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(1-oxidopyridin-1-ium-3-yl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (CID 158783867) is bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(1-oxidopyridin-1-ium-3-yl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

What is the SMILES notation for bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(1-oxidopyridin-1-ium-3-yl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?

The canonical SMILES for bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(1-oxidopyridin-1-ium-3-yl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccc(C#N)nc2)CC1.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccc[n+]([O-])c3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccnc(C#N)c3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccnc(C#N)c3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccncc3)CC2)C2CC2)cc1)C(F)(F)F.

What is the InChIKey of bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(1-oxidopyridin-1-ium-3-yl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?

The InChIKey is IRKUQGHRZFXCDW-DHJFJDEESA-N. The full InChI is InChI=1S/2C25H26F3N3O2.C24H26F3N3O2.C24H27F3N2O3.C24H27F3N2O2/c2*1-24(33,25(26,27)28)19-6-2-17(3-7-19)23(32)31(22-10-11-22)21-8-4-16(5-9-21)18-12-13-30-20(14-18)15-29;1-3-30(21-12-7-16(8-13-21)18-6-11-20(14-28)29-15-18)22(31)17-4-9-19(10-5-17)23(2,32)24(25,26)27;1-23(31,24(25,26)27)19-8-4-17(5-9-19)22(30)29(21-12-13-21)20-10-6-16(7-11-20)18-3-2-14-28(32)15-18;1-23(31,24(25,26)27)19-6-2-18(3-7-19)22(30)29(21-10-11-21)20-8-4-16(5-9-20)17-12-14-28-15-13-17/h2*2-3,6-7,12-14,16,21-22,33H,4-5,8-11H2,1H3;4-6,9-11,15-16,21,32H,3,7-8,12-13H2,1-2H3;2-5,8-9,14-16,20-21,31H,6-7,10-13H2,1H3;2-3,6-7,12-16,20-21,31H,4-5,8-11H2,1H3/t2*16?,21?,24-;16?,21?,23-;2*16?,20?,23-/m00000/s1.

What are the key properties of bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(1-oxidopyridin-1-ium-3-yl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?

bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(1-oxidopyridin-1-ium-3-yl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide has a molecular weight of 2241.45 g/mol, XLogP of 24.62, 25 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[4-(2-cyano-4-pyridinyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-[4-(6-cyano-3-pyridinyl)cyclohexyl]-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(1-oxidopyridin-1-ium-3-yl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-4-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 158783867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).