2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide

C18H21FN2O5 — CID 16853900

IUPAC2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cc(OCc2ccc(F)cc2)c(=O)cc1CO
InChIInChI=1S/C18H21FN2O5/c1-25-7-6-20-18(24)10-21-9-17(16(23)8-15(21)11-22)26-12-13-2-4-14(19)5-3-13/h2-5,8-9,22H,6-7,10-12H2,1H3,(H,20,24)
InChIKeyFRBNGJKWNQMQQT-UHFFFAOYSA-N
MW364.37 g/mol
LogP0.82
Rot. Bonds9

About 2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide

2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide (PubChem CID 16853900) has the molecular formula C18H21FN2O5 and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide
PubChem CID16853900
Molecular FormulaC18H21FN2O5
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cc(OCc2ccc(F)cc2)c(=O)cc1CO
InChIInChI=1S/C18H21FN2O5/c1-25-7-6-20-18(24)10-21-9-17(16(23)8-15(21)11-22)26-12-13-2-4-14(19)5-3-13/h2-5,8-9,22H,6-7,10-12H2,1H3,(H,20,24)
InChIKeyFRBNGJKWNQMQQT-UHFFFAOYSA-N
XLogP0.82
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide (CID 16853900) is 2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1cc(OCc2ccc(F)cc2)c(=O)cc1CO.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is FRBNGJKWNQMQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O5/c1-25-7-6-20-18(24)10-21-9-17(16(23)8-15(21)11-22)26-12-13-2-4-14(19)5-3-13/h2-5,8-9,22H,6-7,10-12H2,1H3,(H,20,24).
What are the key properties of 2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide?
2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 364.37 g/mol, XLogP of 0.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 16853900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).