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

C16H17FN2O4 — CID 16853186

IUPACN-[(4-fluorophenyl)methyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
InChIInChI=1S/C16H17FN2O4/c1-23-15-8-19(13(10-20)6-14(15)21)9-16(22)18-7-11-2-4-12(17)5-3-11/h2-6,8,20H,7,9-10H2,1H3,(H,18,22)
InChIKeyCKHRRUPQQLGEHE-UHFFFAOYSA-N
MW320.32 g/mol
LogP0.80
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide (PubChem CID 16853186) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
PubChem CID16853186
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O
InChIInChI=1S/C16H17FN2O4/c1-23-15-8-19(13(10-20)6-14(15)21)9-16(22)18-7-11-2-4-12(17)5-3-11/h2-6,8,20H,7,9-10H2,1H3,(H,18,22)
InChIKeyCKHRRUPQQLGEHE-UHFFFAOYSA-N
XLogP0.80
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide (CID 16853186) is N-[(4-fluorophenyl)methyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide is COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide?
The InChIKey is CKHRRUPQQLGEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4/c1-23-15-8-19(13(10-20)6-14(15)21)9-16(22)18-7-11-2-4-12(17)5-3-11/h2-6,8,20H,7,9-10H2,1H3,(H,18,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide has a molecular weight of 320.32 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 16853186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).