N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide

C25H31FIN3O — CID 111263106

About N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide (PubChem CID 111263106) has the molecular formula C25H31FIN3O and a molecular weight of 535.45 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
• PubChem CID: 111263106
• Molecular Formula: C25H31FIN3O
• Molecular Weight: 535.45 g/mol
• Exact Mass: 535.15
• IUPAC Name: N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
• SMILES: C/N=C(/NCC1(c2ccc(F)cc2)CCOCC1)N1CC=C(c2ccccc2)CC1.I
• InChI: InChI=1S/C25H30FN3O.HI/c1-27-24(29-15-11-21(12-16-29)20-5-3-2-4-6-20)28-19-25(13-17-30-18-14-25)22-7-9-23(26)10-8-22;/h2-11H,12-19H2,1H3,(H,27,28);1H
• InChIKey: AWYLTCWRSNEHAQ-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 36.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.45
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide?

The IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide (CID 111263106) is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide?

The canonical SMILES for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide is C/N=C(/NCC1(c2ccc(F)cc2)CCOCC1)N1CC=C(c2ccccc2)CC1.I.

What is the InChIKey of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide?

The InChIKey is AWYLTCWRSNEHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O.HI/c1-27-24(29-15-11-21(12-16-29)20-5-3-2-4-6-20)28-19-25(13-17-30-18-14-25)22-7-9-23(26)10-8-22;/h2-11H,12-19H2,1H3,(H,27,28);1H.

What are the key properties of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide?

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide has a molecular weight of 535.45 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111263106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).