N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide

C24H35IN6 — CID 111724330

About N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111724330) has the molecular formula C24H35IN6 and a molecular weight of 534.49 g/mol. Its IUPAC name is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
• PubChem CID: 111724330
• Molecular Formula: C24H35IN6
• Molecular Weight: 534.49 g/mol
• Exact Mass: 534.20
• IUPAC Name: N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
• SMILES: CCN1CCN(c2ccc(CN/C(=N\C)N3CCC(c4ccccc4)C3)cn2)CC1.I
• InChI: InChI=1S/C24H34N6.HI/c1-3-28-13-15-29(16-14-28)23-10-9-20(17-26-23)18-27-24(25-2)30-12-11-22(19-30)21-7-5-4-6-8-21;/h4-10,17,22H,3,11-16,18-19H2,1-2H3,(H,25,27);1H
• InChIKey: HKNPFGSYFQSCBB-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 47.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.49
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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 N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide?

The IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide (CID 111724330) is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide?

The canonical SMILES for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide is CCN1CCN(c2ccc(CN/C(=N\C)N3CCC(c4ccccc4)C3)cn2)CC1.I.

What is the InChIKey of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide?

The InChIKey is HKNPFGSYFQSCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6.HI/c1-3-28-13-15-29(16-14-28)23-10-9-20(17-26-23)18-27-24(25-2)30-12-11-22(19-30)21-7-5-4-6-8-21;/h4-10,17,22H,3,11-16,18-19H2,1-2H3,(H,25,27);1H.

What are the key properties of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide?

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 534.49 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111724330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).