5-[(4-fluorophenoxy)methyl]-3-hydroxy-4-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide

C17H19FN2O5 — CID 155358547

IUPAC5-[(4-fluorophenoxy)methyl]-3-hydroxy-4-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1ncc(COc2ccc(F)cc2)c(CO)c1O
InChIInChI=1S/C17H19FN2O5/c1-24-7-6-19-17(23)15-16(22)14(9-21)11(8-20-15)10-25-13-4-2-12(18)3-5-13/h2-5,8,21-22H,6-7,9-10H2,1H3,(H,19,23)
InChIKeyZWPUQPJOOJSICX-UHFFFAOYSA-N
MW350.35 g/mol
LogP1.37
Rot. Bonds8

About 5-[(4-fluorophenoxy)methyl]-3-hydroxy-4-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide

5-[(4-fluorophenoxy)methyl]-3-hydroxy-4-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide (PubChem CID 155358547) has the molecular formula C17H19FN2O5 and a molecular weight of 350.35 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-3-hydroxy-4-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-3-hydroxy-4-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
PubChem CID155358547
Molecular FormulaC17H19FN2O5
Molecular Weight350.35 g/mol
Exact Mass350.13
IUPAC Name5-[(4-fluorophenoxy)methyl]-3-hydroxy-4-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1ncc(COc2ccc(F)cc2)c(CO)c1O
InChIInChI=1S/C17H19FN2O5/c1-24-7-6-19-17(23)15-16(22)14(9-21)11(8-20-15)10-25-13-4-2-12(18)3-5-13/h2-5,8,21-22H,6-7,9-10H2,1H3,(H,19,23)
InChIKeyZWPUQPJOOJSICX-UHFFFAOYSA-N
XLogP1.37
TPSA100.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 51.37
H-Bond Donors ≤ 53
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 5-[(4-fluorophenoxy)methyl]-3-hydroxy-4-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-3-hydroxy-4-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide (CID 155358547) is 5-[(4-fluorophenoxy)methyl]-3-hydroxy-4-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-3-hydroxy-4-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-3-hydroxy-4-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide is COCCNC(=O)c1ncc(COc2ccc(F)cc2)c(CO)c1O.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-3-hydroxy-4-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The InChIKey is ZWPUQPJOOJSICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O5/c1-24-7-6-19-17(23)15-16(22)14(9-21)11(8-20-15)10-25-13-4-2-12(18)3-5-13/h2-5,8,21-22H,6-7,9-10H2,1H3,(H,19,23).
What are the key properties of 5-[(4-fluorophenoxy)methyl]-3-hydroxy-4-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide?
5-[(4-fluorophenoxy)methyl]-3-hydroxy-4-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide has a molecular weight of 350.35 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-3-hydroxy-4-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155358547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).