1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine

C24H34FN5O2 — CID 111312414

About 1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine

1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine (PubChem CID 111312414) has the molecular formula C24H34FN5O2 and a molecular weight of 443.57 g/mol. Its IUPAC name is 1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine.

Molecular Properties

• Compound Name: 1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
• PubChem CID: 111312414
• Molecular Formula: C24H34FN5O2
• Molecular Weight: 443.57 g/mol
• Exact Mass: 443.27
• IUPAC Name: 1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
• SMILES: CCN/C(=N\CC(c1ccc(F)cc1)N1CCOCC1)NCCCCn1ccccc1=O
• InChI: InChI=1S/C24H34FN5O2/c1-2-26-24(27-12-4-6-14-30-13-5-3-7-23(30)31)28-19-22(29-15-17-32-18-16-29)20-8-10-21(25)11-9-20/h3,5,7-11,13,22H,2,4,6,12,14-19H2,1H3,(H2,26,27,28)
• InChIKey: IHVKERZXPPDZKN-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 70.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.57
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine?

The IUPAC name of 1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine (CID 111312414) is 1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine.

What is the SMILES notation for 1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine?

The canonical SMILES for 1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine is CCN/C(=N\CC(c1ccc(F)cc1)N1CCOCC1)NCCCCn1ccccc1=O.

What is the InChIKey of 1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine?

The InChIKey is IHVKERZXPPDZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN5O2/c1-2-26-24(27-12-4-6-14-30-13-5-3-7-23(30)31)28-19-22(29-15-17-32-18-16-29)20-8-10-21(25)11-9-20/h3,5,7-11,13,22H,2,4,6,12,14-19H2,1H3,(H2,26,27,28).

What are the key properties of 1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine?

1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine has a molecular weight of 443.57 g/mol, XLogP of 2.40, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine is sourced from PubChem (CID 111312414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).