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

C14H22N2O4 — CID 82063856

IUPAC2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)COc1c[nH]c(CO)cc1=O
InChIInChI=1S/C14H22N2O4/c1-3-5-16(6-4-2)14(19)10-20-13-8-15-11(9-17)7-12(13)18/h7-8,17H,3-6,9-10H2,1-2H3,(H,15,18)
InChIKeyDQWVFCIWEXRAQT-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.89
Rot. Bonds8

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

2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N,N-dipropylacetamide (PubChem CID 82063856) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N,N-dipropylacetamide
PubChem CID82063856
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)COc1c[nH]c(CO)cc1=O
InChIInChI=1S/C14H22N2O4/c1-3-5-16(6-4-2)14(19)10-20-13-8-15-11(9-17)7-12(13)18/h7-8,17H,3-6,9-10H2,1-2H3,(H,15,18)
InChIKeyDQWVFCIWEXRAQT-UHFFFAOYSA-N
XLogP0.89
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N,N-dipropylacetamide?
The IUPAC name of 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N,N-dipropylacetamide (CID 82063856) is 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N,N-dipropylacetamide?
The canonical SMILES for 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N,N-dipropylacetamide is CCCN(CCC)C(=O)COc1c[nH]c(CO)cc1=O.
What is the InChIKey of 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N,N-dipropylacetamide?
The InChIKey is DQWVFCIWEXRAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-3-5-16(6-4-2)14(19)10-20-13-8-15-11(9-17)7-12(13)18/h7-8,17H,3-6,9-10H2,1-2H3,(H,15,18).
What are the key properties of 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N,N-dipropylacetamide?
2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N,N-dipropylacetamide has a molecular weight of 282.34 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 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]-N,N-dipropylacetamide is sourced from PubChem (CID 82063856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).