2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide

C8H10N2O4 — CID 82063845

IUPAC2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
SMILESNC(=O)COc1c[nH]c(CO)cc1=O
InChIInChI=1S/C8H10N2O4/c9-8(13)4-14-7-2-10-5(3-11)1-6(7)12/h1-2,11H,3-4H2,(H2,9,13)(H,10,12)
InChIKeyNZSVIDANVMTIIY-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.27
Rot. Bonds4

About 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide

2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide (PubChem CID 82063845) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
PubChem CID82063845
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
SMILESNC(=O)COc1c[nH]c(CO)cc1=O
InChIInChI=1S/C8H10N2O4/c9-8(13)4-14-7-2-10-5(3-11)1-6(7)12/h1-2,11H,3-4H2,(H2,9,13)(H,10,12)
InChIKeyNZSVIDANVMTIIY-UHFFFAOYSA-N
XLogP-1.27
TPSA105.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
CID 82063866
5-[(4-tert-butylphenyl)methoxy]-2-(hydroxymethyl)-1H-pyridin-4-one
CID 82063876
5-chloro-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130893492
2-(aminomethyl)-5-(2-methylpropoxy)-1H-pyridin-4-one
CID 51714213
2-[(2-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82055987
4,5-dimethoxypyridine-2-carbaldehyde;(E)-4-(4,5-dimethoxy-2-pyridinyl)but-3-en-2-one;2-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one
CID 54233233
2-(chloromethyl)-5-pentoxy-1H-pyridin-4-one
CID 82063817
2-(2-hydroxyphenoxy)acetamide
CID 786426
2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide
CID 43472920
2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetamide
CID 90673698
2-(4-amino-2-chlorophenoxy)acetamide
CID 16790617
methyl 2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]-2-phenylacetate
CID 123123605

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide?
The IUPAC name of 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide (CID 82063845) is 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide.
What is the SMILES notation for 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide?
The canonical SMILES for 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide is NC(=O)COc1c[nH]c(CO)cc1=O.
What is the InChIKey of 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide?
The InChIKey is NZSVIDANVMTIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c9-8(13)4-14-7-2-10-5(3-11)1-6(7)12/h1-2,11H,3-4H2,(H2,9,13)(H,10,12).
What are the key properties of 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide?
2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide has a molecular weight of 198.18 g/mol, XLogP of -1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide is sourced from PubChem (CID 82063845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).