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

C14H20N2O4 — CID 82063851

IUPACN-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
SMILESO=C(COc1c[nH]c(CO)cc1=O)NC1CCCCC1
InChIInChI=1S/C14H20N2O4/c17-8-11-6-12(18)13(7-15-11)20-9-14(19)16-10-4-2-1-3-5-10/h6-7,10,17H,1-5,8-9H2,(H,15,18)(H,16,19)
InChIKeyKFBHKUKOHJKYNR-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.69
Rot. Bonds5

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

N-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide (PubChem CID 82063851) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
PubChem CID82063851
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
SMILESO=C(COc1c[nH]c(CO)cc1=O)NC1CCCCC1
InChIInChI=1S/C14H20N2O4/c17-8-11-6-12(18)13(7-15-11)20-9-14(19)16-10-4-2-1-3-5-10/h6-7,10,17H,1-5,8-9H2,(H,15,18)(H,16,19)
InChIKeyKFBHKUKOHJKYNR-UHFFFAOYSA-N
XLogP0.69
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide?
The IUPAC name of N-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide (CID 82063851) is N-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide is O=C(COc1c[nH]c(CO)cc1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide?
The InChIKey is KFBHKUKOHJKYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-8-11-6-12(18)13(7-15-11)20-9-14(19)16-10-4-2-1-3-5-10/h6-7,10,17H,1-5,8-9H2,(H,15,18)(H,16,19).
What are the key properties of N-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide?
N-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide has a molecular weight of 280.32 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide is sourced from PubChem (CID 82063851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).