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

C20H23FN2O5 — CID 16853804

IUPAC2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(OCc2ccccc2F)c(=O)cc1CO)NCC1CCCO1
InChIInChI=1S/C20H23FN2O5/c21-17-6-2-1-4-14(17)13-28-19-10-23(15(12-24)8-18(19)25)11-20(26)22-9-16-5-3-7-27-16/h1-2,4,6,8,10,16,24H,3,5,7,9,11-13H2,(H,22,26)
InChIKeyUVIPPTIVIHJPLB-UHFFFAOYSA-N
MW390.41 g/mol
LogP1.35
Rot. Bonds8

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

2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 16853804) has the molecular formula C20H23FN2O5 and a molecular weight of 390.41 g/mol. Its IUPAC name is 2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID16853804
Molecular FormulaC20H23FN2O5
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(OCc2ccccc2F)c(=O)cc1CO)NCC1CCCO1
InChIInChI=1S/C20H23FN2O5/c21-17-6-2-1-4-14(17)13-28-19-10-23(15(12-24)8-18(19)25)11-20(26)22-9-16-5-3-7-27-16/h1-2,4,6,8,10,16,24H,3,5,7,9,11-13H2,(H,22,26)
InChIKeyUVIPPTIVIHJPLB-UHFFFAOYSA-N
XLogP1.35
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide (CID 16853804) is 2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide is O=C(Cn1cc(OCc2ccccc2F)c(=O)cc1CO)NCC1CCCO1.
What is the InChIKey of 2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is UVIPPTIVIHJPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O5/c21-17-6-2-1-4-14(17)13-28-19-10-23(15(12-24)8-18(19)25)11-20(26)22-9-16-5-3-7-27-16/h1-2,4,6,8,10,16,24H,3,5,7,9,11-13H2,(H,22,26).
What are the key properties of 2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide?
2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 390.41 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 16853804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).