1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide

C23H35IN6O2 — CID 109402255

About 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide (PubChem CID 109402255) has the molecular formula C23H35IN6O2 and a molecular weight of 554.48 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide
• PubChem CID: 109402255
• Molecular Formula: C23H35IN6O2
• Molecular Weight: 554.48 g/mol
• Exact Mass: 554.19
• IUPAC Name: 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide
• SMILES: C/N=C(\NCc1cccc(N(C)C)n1)NCC(c1ccc(OC)cc1)N1CCOCC1.I
• InChI: InChI=1S/C23H34N6O2.HI/c1-24-23(25-16-19-6-5-7-22(27-19)28(2)3)26-17-21(29-12-14-31-15-13-29)18-8-10-20(30-4)11-9-18;/h5-11,21H,12-17H2,1-4H3,(H2,24,25,26);1H
• InChIKey: JJQGFQLYFNULNN-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 74.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.48
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	2
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 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide?

The IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide (CID 109402255) is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide.

What is the SMILES notation for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide?

The canonical SMILES for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide is C/N=C(\NCc1cccc(N(C)C)n1)NCC(c1ccc(OC)cc1)N1CCOCC1.I.

What is the InChIKey of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide?

The InChIKey is JJQGFQLYFNULNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O2.HI/c1-24-23(25-16-19-6-5-7-22(27-19)28(2)3)26-17-21(29-12-14-31-15-13-29)18-8-10-20(30-4)11-9-18;/h5-11,21H,12-17H2,1-4H3,(H2,24,25,26);1H.

What are the key properties of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide?

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide has a molecular weight of 554.48 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 109402255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).