2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]pyridine-3-sulfonamide;6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carboxylic acid;2-piperazin-1-ylpyridine-3-sulfonamide

C60H72N14O7S2 — CID 159842432

About 2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]pyridine-3-sulfonamide;6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carboxylic acid;2-piperazin-1-ylpyridine-3-sulfonamide

2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]pyridine-3-sulfonamide;6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carboxylic acid;2-piperazin-1-ylpyridine-3-sulfonamide (PubChem CID 159842432) has the molecular formula C60H72N14O7S2 and a molecular weight of 1165.46 g/mol. Its IUPAC name is 2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]pyridine-3-sulfonamide;6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carboxylic acid;2-piperazin-1-ylpyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]pyridine-3-sulfonamide;6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carboxylic acid;2-piperazin-1-ylpyridine-3-sulfonamide
• PubChem CID: 159842432
• Molecular Formula: C60H72N14O7S2
• Molecular Weight: 1165.46 g/mol
• Exact Mass: 1164.51
• IUPAC Name: 2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]pyridine-3-sulfonamide;6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carboxylic acid;2-piperazin-1-ylpyridine-3-sulfonamide
• SMILES: Cc1cc(C)c(C(=O)N2CCN(c3ncccc3S(N)(=O)=O)CC2)nc1CC1CCN(c2ccccc2C#N)CC1.Cc1cc(C)c(C(=O)O)nc1CC1CCN(c2ccccc2C#N)CC1.NS(=O)(=O)c1cccnc1N1CCNCC1
• InChI: InChI=1S/C30H35N7O3S.C21H23N3O2.C9H14N4O2S/c1-21-18-22(2)28(30(38)37-16-14-36(15-17-37)29-27(41(32,39)40)8-5-11-33-29)34-25(21)19-23-9-12-35(13-10-23)26-7-4-3-6-24(26)20-31;1-14-11-15(2)20(21(25)26)23-18(14)12-16-7-9-24(10-8-16)19-6-4-3-5-17(19)13-22;10-16(14,15)8-2-1-3-12-9(8)13-6-4-11-5-7-13/h3-8,11,18,23H,9-10,12-17,19H2,1-2H3,(H2,32,39,40);3-6,11,16H,7-10,12H2,1-2H3,(H,25,26);1-3,11H,4-7H2,(H2,10,14,15)
• InChIKey: NOVSPICQRSCLMM-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 302.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1165.46
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]pyridine-3-sulfonamide;6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carboxylic acid;2-piperazin-1-ylpyridine-3-sulfonamide?

The IUPAC name of 2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]pyridine-3-sulfonamide;6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carboxylic acid;2-piperazin-1-ylpyridine-3-sulfonamide (CID 159842432) is 2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]pyridine-3-sulfonamide;6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carboxylic acid;2-piperazin-1-ylpyridine-3-sulfonamide.

What is the SMILES notation for 2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]pyridine-3-sulfonamide;6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carboxylic acid;2-piperazin-1-ylpyridine-3-sulfonamide?

The canonical SMILES for 2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]pyridine-3-sulfonamide;6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carboxylic acid;2-piperazin-1-ylpyridine-3-sulfonamide is Cc1cc(C)c(C(=O)N2CCN(c3ncccc3S(N)(=O)=O)CC2)nc1CC1CCN(c2ccccc2C#N)CC1.Cc1cc(C)c(C(=O)O)nc1CC1CCN(c2ccccc2C#N)CC1.NS(=O)(=O)c1cccnc1N1CCNCC1.

What is the InChIKey of 2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]pyridine-3-sulfonamide;6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carboxylic acid;2-piperazin-1-ylpyridine-3-sulfonamide?

The InChIKey is NOVSPICQRSCLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O3S.C21H23N3O2.C9H14N4O2S/c1-21-18-22(2)28(30(38)37-16-14-36(15-17-37)29-27(41(32,39)40)8-5-11-33-29)34-25(21)19-23-9-12-35(13-10-23)26-7-4-3-6-24(26)20-31;1-14-11-15(2)20(21(25)26)23-18(14)12-16-7-9-24(10-8-16)19-6-4-3-5-17(19)13-22;10-16(14,15)8-2-1-3-12-9(8)13-6-4-11-5-7-13/h3-8,11,18,23H,9-10,12-17,19H2,1-2H3,(H2,32,39,40);3-6,11,16H,7-10,12H2,1-2H3,(H,25,26);1-3,11H,4-7H2,(H2,10,14,15).

What are the key properties of 2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]pyridine-3-sulfonamide;6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carboxylic acid;2-piperazin-1-ylpyridine-3-sulfonamide?

2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]pyridine-3-sulfonamide;6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carboxylic acid;2-piperazin-1-ylpyridine-3-sulfonamide has a molecular weight of 1165.46 g/mol, XLogP of 5.90, 12 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carbonyl]piperazin-1-yl]pyridine-3-sulfonamide;6-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-3,5-dimethylpyridine-2-carboxylic acid;2-piperazin-1-ylpyridine-3-sulfonamide is sourced from PubChem (CID 159842432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).