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

C23H27IN6 — CID 119131275

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

N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide (PubChem CID 119131275) has the molecular formula C23H27IN6 and a molecular weight of 514.42 g/mol. Its IUPAC name is N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
• PubChem CID: 119131275
• Molecular Formula: C23H27IN6
• Molecular Weight: 514.42 g/mol
• Exact Mass: 514.13
• IUPAC Name: N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
• SMILES: C/N=C(\NCc1ccc(-n2ccnc2C)nc1)N1CC=C(c2ccccc2)CC1.I
• InChI: InChI=1S/C23H26N6.HI/c1-18-25-12-15-29(18)22-9-8-19(16-26-22)17-27-23(24-2)28-13-10-21(11-14-28)20-6-4-3-5-7-20;/h3-10,12,15-16H,11,13-14,17H2,1-2H3,(H,24,27);1H
• InChIKey: MFRIVRJYMKSJRW-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 58.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.42
LogP ≤ 5	4.06
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'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide?

The IUPAC name of N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide (CID 119131275) is N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide.

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

The canonical SMILES for N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide is C/N=C(\NCc1ccc(-n2ccnc2C)nc1)N1CC=C(c2ccccc2)CC1.I.

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

The InChIKey is MFRIVRJYMKSJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6.HI/c1-18-25-12-15-29(18)22-9-8-19(16-26-22)17-27-23(24-2)28-13-10-21(11-14-28)20-6-4-3-5-7-20;/h3-10,12,15-16H,11,13-14,17H2,1-2H3,(H,24,27);1H.

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

N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide has a molecular weight of 514.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119131275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).