N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide

C22H30IN5O — CID 110983357

About N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide

N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide (PubChem CID 110983357) has the molecular formula C22H30IN5O and a molecular weight of 507.42 g/mol. Its IUPAC name is N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
• PubChem CID: 110983357
• Molecular Formula: C22H30IN5O
• Molecular Weight: 507.42 g/mol
• Exact Mass: 507.15
• IUPAC Name: N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
• SMILES: CCN/C(=N\Cc1ccc(N2CCOC(C)C2)nc1)N1CCc2ccccc21.I
• InChI: InChI=1S/C22H29N5O.HI/c1-3-23-22(27-11-10-19-6-4-5-7-20(19)27)25-15-18-8-9-21(24-14-18)26-12-13-28-17(2)16-26;/h4-9,14,17H,3,10-13,15-16H2,1-2H3,(H,23,25);1H
• InChIKey: LGAVVKIVKVZLSG-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 52.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.42
LogP ≤ 5	3.45
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-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?

The IUPAC name of N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide (CID 110983357) is N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide.

What is the SMILES notation for N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?

The canonical SMILES for N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide is CCN/C(=N\Cc1ccc(N2CCOC(C)C2)nc1)N1CCc2ccccc21.I.

What is the InChIKey of N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?

The InChIKey is LGAVVKIVKVZLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O.HI/c1-3-23-22(27-11-10-19-6-4-5-7-20(19)27)25-15-18-8-9-21(24-14-18)26-12-13-28-17(2)16-26;/h4-9,14,17H,3,10-13,15-16H2,1-2H3,(H,23,25);1H.

What are the key properties of N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?

N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide has a molecular weight of 507.42 g/mol, XLogP of 3.45, 4 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-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110983357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).