4-(3-methoxyphenyl)-N'-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide

C24H36IN7O — CID 111291180

About 4-(3-methoxyphenyl)-N'-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide

4-(3-methoxyphenyl)-N'-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 111291180) has the molecular formula C24H36IN7O and a molecular weight of 565.50 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N'-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: 4-(3-methoxyphenyl)-N'-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide
• PubChem CID: 111291180
• Molecular Formula: C24H36IN7O
• Molecular Weight: 565.50 g/mol
• Exact Mass: 565.20
• IUPAC Name: 4-(3-methoxyphenyl)-N'-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide
• SMILES: C/N=C(\NCc1cccnc1N1CCN(C)CC1)N1CCN(c2cccc(OC)c2)CC1.I
• InChI: InChI=1S/C24H35N7O.HI/c1-25-24(31-16-14-29(15-17-31)21-7-4-8-22(18-21)32-3)27-19-20-6-5-9-26-23(20)30-12-10-28(2)11-13-30;/h4-9,18H,10-17,19H2,1-3H3,(H,25,27);1H
• InChIKey: ZTUZCLDBLYKYHT-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 59.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.50
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N'-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide?

The IUPAC name of 4-(3-methoxyphenyl)-N'-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide (CID 111291180) is 4-(3-methoxyphenyl)-N'-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide.

What is the SMILES notation for 4-(3-methoxyphenyl)-N'-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide?

The canonical SMILES for 4-(3-methoxyphenyl)-N'-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide is C/N=C(\NCc1cccnc1N1CCN(C)CC1)N1CCN(c2cccc(OC)c2)CC1.I.

What is the InChIKey of 4-(3-methoxyphenyl)-N'-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide?

The InChIKey is ZTUZCLDBLYKYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7O.HI/c1-25-24(31-16-14-29(15-17-31)21-7-4-8-22(18-21)32-3)27-19-20-6-5-9-26-23(20)30-12-10-28(2)11-13-30;/h4-9,18H,10-17,19H2,1-3H3,(H,25,27);1H.

What are the key properties of 4-(3-methoxyphenyl)-N'-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide?

4-(3-methoxyphenyl)-N'-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 565.50 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-methoxyphenyl)-N'-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111291180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).