N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-[5-(4-cyanopiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;methyl 4-[6-[[2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate

C150H149ClF4N32O11 — CID 159363686

About N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-[5-(4-cyanopiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;methyl 4-[6-[[2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-[5-(4-cyanopiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;methyl 4-[6-[[2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate (PubChem CID 159363686) has the molecular formula C150H149ClF4N32O11 and a molecular weight of 2687.50 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-[5-(4-cyanopiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;methyl 4-[6-[[2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-[5-(4-cyanopiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;methyl 4-[6-[[2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate
• PubChem CID: 159363686
• Molecular Formula: C150H149ClF4N32O11
• Molecular Weight: 2687.50 g/mol
• Exact Mass: 2685.17
• IUPAC Name: N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-[5-(4-cyanopiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;methyl 4-[6-[[2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate
• SMILES: CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)c(C(F)(F)F)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)c(Cl)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)c(F)c3)nc2)CC1.COC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)c(C)c3)nc2)CC1.Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C#N)ccn1.Cc1cc(-c2ccc(CC(=O)Nc3ccc(N4CCN(C#N)CC4)cn3)cc2)ccn1
• InChI: InChI=1S/C26H26F3N5O2.C26H29N5O3.C25H26ClN5O2.C25H26FN5O2.C24H18N6O.C24H24N6O/c1-17-13-20(7-8-30-17)22-5-3-19(14-23(22)26(27,28)29)15-25(36)32-24-6-4-21(16-31-24)34-11-9-33(10-12-34)18(2)35;1-18-14-20(4-6-23(18)21-8-9-27-19(2)15-21)16-25(32)29-24-7-5-22(17-28-24)30-10-12-31(13-11-30)26(33)34-3;2*1-17-13-20(7-8-27-17)22-5-3-19(14-23(22)26)15-25(33)29-24-6-4-21(16-28-24)31-11-9-30(10-12-31)18(2)32;1-16-10-18(6-7-27-16)21-4-2-17(11-20(21)13-25)12-24(31)30-23-5-3-19(14-29-23)22-15-26-8-9-28-22;1-18-14-21(8-9-26-18)20-4-2-19(3-5-20)15-24(31)28-23-7-6-22(16-27-23)30-12-10-29(17-25)11-13-30/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,31,32,36);4-9,14-15,17H,10-13,16H2,1-3H3,(H,28,29,32);2*3-8,13-14,16H,9-12,15H2,1-2H3,(H,28,29,33);2-11,14-15H,12H2,1H3,(H,29,30,31);2-9,14,16H,10-13,15H2,1H3,(H,27,28,31)
• InChIKey: LIVWIYICSDCBAW-UHFFFAOYSA-N
• XLogP: 22.74
• TPSA: 512.55 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 30
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2687.50
LogP ≤ 5	22.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-[5-(4-cyanopiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;methyl 4-[6-[[2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate?

The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-[5-(4-cyanopiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;methyl 4-[6-[[2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate (CID 159363686) is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-[5-(4-cyanopiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;methyl 4-[6-[[2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate.

What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-[5-(4-cyanopiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;methyl 4-[6-[[2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate?

The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-[5-(4-cyanopiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;methyl 4-[6-[[2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate is CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)c(C(F)(F)F)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)c(Cl)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)c(F)c3)nc2)CC1.COC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)c(C)c3)nc2)CC1.Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C#N)ccn1.Cc1cc(-c2ccc(CC(=O)Nc3ccc(N4CCN(C#N)CC4)cn3)cc2)ccn1.

What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-[5-(4-cyanopiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;methyl 4-[6-[[2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate?

The InChIKey is LIVWIYICSDCBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O2.C26H29N5O3.C25H26ClN5O2.C25H26FN5O2.C24H18N6O.C24H24N6O/c1-17-13-20(7-8-30-17)22-5-3-19(14-23(22)26(27,28)29)15-25(36)32-24-6-4-21(16-31-24)34-11-9-33(10-12-34)18(2)35;1-18-14-20(4-6-23(18)21-8-9-27-19(2)15-21)16-25(32)29-24-7-5-22(17-28-24)30-10-12-31(13-11-30)26(33)34-3;2*1-17-13-20(7-8-27-17)22-5-3-19(14-23(22)26)15-25(33)29-24-6-4-21(16-28-24)31-11-9-30(10-12-31)18(2)32;1-16-10-18(6-7-27-16)21-4-2-17(11-20(21)13-25)12-24(31)30-23-5-3-19(14-29-23)22-15-26-8-9-28-22;1-18-14-21(8-9-26-18)20-4-2-19(3-5-20)15-24(31)28-23-7-6-22(16-27-23)30-12-10-29(17-25)11-13-30/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,31,32,36);4-9,14-15,17H,10-13,16H2,1-3H3,(H,28,29,32);2*3-8,13-14,16H,9-12,15H2,1-2H3,(H,28,29,33);2-11,14-15H,12H2,1H3,(H,29,30,31);2-9,14,16H,10-13,15H2,1H3,(H,27,28,31).

What are the key properties of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-[5-(4-cyanopiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;methyl 4-[6-[[2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate?

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-[5-(4-cyanopiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;methyl 4-[6-[[2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate has a molecular weight of 2687.50 g/mol, XLogP of 22.74, 30 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-[5-(4-cyanopiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;methyl 4-[6-[[2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 159363686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).