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

C15H22N2O4 — CID 82063862

IUPACN-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide
SMILESCN(C(=O)COc1c[nH]c(CO)cc1=O)C1CCCCC1
InChIInChI=1S/C15H22N2O4/c1-17(12-5-3-2-4-6-12)15(20)10-21-14-8-16-11(9-18)7-13(14)19/h7-8,12,18H,2-6,9-10H2,1H3,(H,16,19)
InChIKeySTAKSNNISCZZTN-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.04
Rot. Bonds5

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

N-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide (PubChem CID 82063862) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide
PubChem CID82063862
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide
SMILESCN(C(=O)COc1c[nH]c(CO)cc1=O)C1CCCCC1
InChIInChI=1S/C15H22N2O4/c1-17(12-5-3-2-4-6-12)15(20)10-21-14-8-16-11(9-18)7-13(14)19/h7-8,12,18H,2-6,9-10H2,1H3,(H,16,19)
InChIKeySTAKSNNISCZZTN-UHFFFAOYSA-N
XLogP1.04
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
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]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide (CID 82063862) is N-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide is CN(C(=O)COc1c[nH]c(CO)cc1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide?
The InChIKey is STAKSNNISCZZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-17(12-5-3-2-4-6-12)15(20)10-21-14-8-16-11(9-18)7-13(14)19/h7-8,12,18H,2-6,9-10H2,1H3,(H,16,19).
What are the key properties of N-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide?
N-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide has a molecular weight of 294.35 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 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]-N-methylacetamide is sourced from PubChem (CID 82063862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).