2-[2-(hydroxymethyl)-5-[(4-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide

C16H18N2O4 — CID 16853913

IUPAC2-[2-(hydroxymethyl)-5-[(4-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(COc2cn(CC(N)=O)c(CO)cc2=O)cc1
InChIInChI=1S/C16H18N2O4/c1-11-2-4-12(5-3-11)10-22-15-7-18(8-16(17)21)13(9-19)6-14(15)20/h2-7,19H,8-10H2,1H3,(H2,17,21)
InChIKeyCMEZVYURKMYVGK-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.71
Rot. Bonds6

About 2-[2-(hydroxymethyl)-5-[(4-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide

2-[2-(hydroxymethyl)-5-[(4-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide (PubChem CID 16853913) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-[(4-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-[(4-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide
PubChem CID16853913
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-[2-(hydroxymethyl)-5-[(4-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(COc2cn(CC(N)=O)c(CO)cc2=O)cc1
InChIInChI=1S/C16H18N2O4/c1-11-2-4-12(5-3-11)10-22-15-7-18(8-16(17)21)13(9-19)6-14(15)20/h2-7,19H,8-10H2,1H3,(H2,17,21)
InChIKeyCMEZVYURKMYVGK-UHFFFAOYSA-N
XLogP0.71
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(hydroxymethyl)-5-[(4-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-5-[(4-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-5-[(4-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide (CID 16853913) is 2-[2-(hydroxymethyl)-5-[(4-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-[(4-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-[(4-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide is Cc1ccc(COc2cn(CC(N)=O)c(CO)cc2=O)cc1.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-[(4-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide?
The InChIKey is CMEZVYURKMYVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-11-2-4-12(5-3-11)10-22-15-7-18(8-16(17)21)13(9-19)6-14(15)20/h2-7,19H,8-10H2,1H3,(H2,17,21).
What are the key properties of 2-[2-(hydroxymethyl)-5-[(4-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide?
2-[2-(hydroxymethyl)-5-[(4-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide has a molecular weight of 302.33 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-5-[(4-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 16853913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).