N-[5-[3-[[4-(6-aminohexyl)piperazin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;tert-butyl N-(6-oxohexyl)carbamate;N-[2-(4-methylpiperazin-1-yl)-5-[3-(piperazin-1-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

C75H100F6N14O7 — CID 167684542

About N-[5-[3-[[4-(6-aminohexyl)piperazin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;tert-butyl N-(6-oxohexyl)carbamate;N-[2-(4-methylpiperazin-1-yl)-5-[3-(piperazin-1-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[5-[3-[[4-(6-aminohexyl)piperazin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;tert-butyl N-(6-oxohexyl)carbamate;N-[2-(4-methylpiperazin-1-yl)-5-[3-(piperazin-1-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 167684542) has the molecular formula C75H100F6N14O7 and a molecular weight of 1423.70 g/mol. Its IUPAC name is N-[5-[3-[[4-(6-aminohexyl)piperazin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;tert-butyl N-(6-oxohexyl)carbamate;N-[2-(4-methylpiperazin-1-yl)-5-[3-(piperazin-1-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[3-[[4-(6-aminohexyl)piperazin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;tert-butyl N-(6-oxohexyl)carbamate;N-[2-(4-methylpiperazin-1-yl)-5-[3-(piperazin-1-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
• PubChem CID: 167684542
• Molecular Formula: C75H100F6N14O7
• Molecular Weight: 1423.70 g/mol
• Exact Mass: 1422.78
• IUPAC Name: N-[5-[3-[[4-(6-aminohexyl)piperazin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;tert-butyl N-(6-oxohexyl)carbamate;N-[2-(4-methylpiperazin-1-yl)-5-[3-(piperazin-1-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
• SMILES: CC(C)(C)OC(=O)NCCCCCC=O.CN1CCN(c2ccc(-c3cccc(CN4CCN(CCCCCCN)CC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1.CN1CCN(c2ccc(-c3cccc(CN4CCNCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
• InChI: InChI=1S/C35H46F3N7O2.C29H33F3N6O2.C11H21NO3/c1-42-13-19-45(20-14-42)32-10-9-28(22-31(32)41-34(47)29-24-40-33(46)23-30(29)35(36,37)38)27-8-6-7-26(21-27)25-44-17-15-43(16-18-44)12-5-3-2-4-11-39;1-36-11-13-38(14-12-36)26-6-5-22(21-4-2-3-20(15-21)19-37-9-7-33-8-10-37)16-25(26)35-28(40)23-18-34-27(39)17-24(23)29(30,31)32;1-11(2,3)15-10(14)12-8-6-4-5-7-9-13/h6-10,21-24H,2-5,11-20,25,39H2,1H3,(H,40,46)(H,41,47);2-6,15-18,33H,7-14,19H2,1H3,(H,34,39)(H,35,40);9H,4-8H2,1-3H3,(H,12,14)
• InChIKey: WAGNECXOSAIJNI-UHFFFAOYSA-N
• XLogP: 10.44
• TPSA: 240.05 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1423.70
LogP ≤ 5	10.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[[4-(6-aminohexyl)piperazin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;tert-butyl N-(6-oxohexyl)carbamate;N-[2-(4-methylpiperazin-1-yl)-5-[3-(piperazin-1-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The IUPAC name of N-[5-[3-[[4-(6-aminohexyl)piperazin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;tert-butyl N-(6-oxohexyl)carbamate;N-[2-(4-methylpiperazin-1-yl)-5-[3-(piperazin-1-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 167684542) is N-[5-[3-[[4-(6-aminohexyl)piperazin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;tert-butyl N-(6-oxohexyl)carbamate;N-[2-(4-methylpiperazin-1-yl)-5-[3-(piperazin-1-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[3-[[4-(6-aminohexyl)piperazin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;tert-butyl N-(6-oxohexyl)carbamate;N-[2-(4-methylpiperazin-1-yl)-5-[3-(piperazin-1-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The canonical SMILES for N-[5-[3-[[4-(6-aminohexyl)piperazin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;tert-butyl N-(6-oxohexyl)carbamate;N-[2-(4-methylpiperazin-1-yl)-5-[3-(piperazin-1-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is CC(C)(C)OC(=O)NCCCCCC=O.CN1CCN(c2ccc(-c3cccc(CN4CCN(CCCCCCN)CC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1.CN1CCN(c2ccc(-c3cccc(CN4CCNCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1.

What is the InChIKey of N-[5-[3-[[4-(6-aminohexyl)piperazin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;tert-butyl N-(6-oxohexyl)carbamate;N-[2-(4-methylpiperazin-1-yl)-5-[3-(piperazin-1-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The InChIKey is WAGNECXOSAIJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46F3N7O2.C29H33F3N6O2.C11H21NO3/c1-42-13-19-45(20-14-42)32-10-9-28(22-31(32)41-34(47)29-24-40-33(46)23-30(29)35(36,37)38)27-8-6-7-26(21-27)25-44-17-15-43(16-18-44)12-5-3-2-4-11-39;1-36-11-13-38(14-12-36)26-6-5-22(21-4-2-3-20(15-21)19-37-9-7-33-8-10-37)16-25(26)35-28(40)23-18-34-27(39)17-24(23)29(30,31)32;1-11(2,3)15-10(14)12-8-6-4-5-7-9-13/h6-10,21-24H,2-5,11-20,25,39H2,1H3,(H,40,46)(H,41,47);2-6,15-18,33H,7-14,19H2,1H3,(H,34,39)(H,35,40);9H,4-8H2,1-3H3,(H,12,14).

What are the key properties of N-[5-[3-[[4-(6-aminohexyl)piperazin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;tert-butyl N-(6-oxohexyl)carbamate;N-[2-(4-methylpiperazin-1-yl)-5-[3-(piperazin-1-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?

N-[5-[3-[[4-(6-aminohexyl)piperazin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;tert-butyl N-(6-oxohexyl)carbamate;N-[2-(4-methylpiperazin-1-yl)-5-[3-(piperazin-1-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 1423.70 g/mol, XLogP of 10.44, 24 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[[4-(6-aminohexyl)piperazin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;tert-butyl N-(6-oxohexyl)carbamate;N-[2-(4-methylpiperazin-1-yl)-5-[3-(piperazin-1-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 167684542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).