N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide

C20H35IN4O3 — CID 111747469

About N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide

N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111747469) has the molecular formula C20H35IN4O3 and a molecular weight of 506.43 g/mol. Its IUPAC name is N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
• PubChem CID: 111747469
• Molecular Formula: C20H35IN4O3
• Molecular Weight: 506.43 g/mol
• Exact Mass: 506.18
• IUPAC Name: N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
• SMILES: CCN/C(=N\Cc1ccc(OC(C)C)nc1)N1CCC(COCCOC)C1.I
• InChI: InChI=1S/C20H34N4O3.HI/c1-5-21-20(24-9-8-18(14-24)15-26-11-10-25-4)23-13-17-6-7-19(22-12-17)27-16(2)3;/h6-7,12,16,18H,5,8-11,13-15H2,1-4H3,(H,21,23);1H
• InChIKey: LQLCZAKZDHHCIA-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 68.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.43
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-ethyl-3-(2-methoxyethoxymethyl)-N'-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide?

The IUPAC name of N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide (CID 111747469) is N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide?

The canonical SMILES for N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\Cc1ccc(OC(C)C)nc1)N1CCC(COCCOC)C1.I.

What is the InChIKey of N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide?

The InChIKey is LQLCZAKZDHHCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3.HI/c1-5-21-20(24-9-8-18(14-24)15-26-11-10-25-4)23-13-17-6-7-19(22-12-17)27-16(2)3;/h6-7,12,16,18H,5,8-11,13-15H2,1-4H3,(H,21,23);1H.

What are the key properties of N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide?

N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 506.43 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111747469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).