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

C24H28N6 — CID 111263987

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

N-ethyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 111263987) has the molecular formula C24H28N6 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-ethyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

• Compound Name: N-ethyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
• PubChem CID: 111263987
• Molecular Formula: C24H28N6
• Molecular Weight: 400.53 g/mol
• Exact Mass: 400.24
• IUPAC Name: N-ethyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
• SMILES: CCN/C(=N\Cc1ccc(-n2ccnc2C)nc1)N1CC=C(c2ccccc2)CC1
• InChI: InChI=1S/C24H28N6/c1-3-25-24(29-14-11-22(12-15-29)21-7-5-4-6-8-21)28-18-20-9-10-23(27-17-20)30-16-13-26-19(30)2/h4-11,13,16-17H,3,12,14-15,18H2,1-2H3,(H,25,28)
• InChIKey: DKYACZRCUVTVAI-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 58.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.53
LogP ≤ 5	3.83
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'}

Frequently Asked Questions

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

The IUPAC name of N-ethyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 111263987) is N-ethyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide.

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

The canonical SMILES for N-ethyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide is CCN/C(=N\Cc1ccc(-n2ccnc2C)nc1)N1CC=C(c2ccccc2)CC1.

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

The InChIKey is DKYACZRCUVTVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6/c1-3-25-24(29-14-11-22(12-15-29)21-7-5-4-6-8-21)28-18-20-9-10-23(27-17-20)30-16-13-26-19(30)2/h4-11,13,16-17H,3,12,14-15,18H2,1-2H3,(H,25,28).

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

N-ethyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 400.53 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 111263987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).