N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide

C24H32IN3O3 — CID 111263568

About N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide

N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide (PubChem CID 111263568) has the molecular formula C24H32IN3O3 and a molecular weight of 537.44 g/mol. Its IUPAC name is N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
• PubChem CID: 111263568
• Molecular Formula: C24H32IN3O3
• Molecular Weight: 537.44 g/mol
• Exact Mass: 537.15
• IUPAC Name: N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
• SMILES: CCN/C(=N\CC(O)c1cc(OC)ccc1OC)N1CC=C(c2ccccc2)CC1.I
• InChI: InChI=1S/C24H31N3O3.HI/c1-4-25-24(27-14-12-19(13-15-27)18-8-6-5-7-9-18)26-17-22(28)21-16-20(29-2)10-11-23(21)30-3;/h5-12,16,22,28H,4,13-15,17H2,1-3H3,(H,25,26);1H
• InChIKey: OAPJWEAOAWXCLL-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 66.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.44
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	2
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'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide?

The IUPAC name of N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide (CID 111263568) is N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide?

The canonical SMILES for N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(O)c1cc(OC)ccc1OC)N1CC=C(c2ccccc2)CC1.I.

What is the InChIKey of N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide?

The InChIKey is OAPJWEAOAWXCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3.HI/c1-4-25-24(27-14-12-19(13-15-27)18-8-6-5-7-9-18)26-17-22(28)21-16-20(29-2)10-11-23(21)30-3;/h5-12,16,22,28H,4,13-15,17H2,1-3H3,(H,25,26);1H.

What are the key properties of N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide?

N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide has a molecular weight of 537.44 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111263568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).