2-(decoxymethyl)-5-methoxy-1H-pyridin-4-one

C17H29NO3 — CID 13376046

IUPAC2-(decoxymethyl)-5-methoxy-1H-pyridin-4-one
SMILESCCCCCCCCCCOCc1cc(=O)c(OC)c[nH]1
InChIInChI=1S/C17H29NO3/c1-3-4-5-6-7-8-9-10-11-21-14-15-12-16(19)17(20-2)13-18-15/h12-13H,3-11,14H2,1-2H3,(H,18,19)
InChIKeySFJYJNXLIGVARJ-UHFFFAOYSA-N
MW295.42 g/mol
LogP4.04
Rot. Bonds12

About 2-(decoxymethyl)-5-methoxy-1H-pyridin-4-one

2-(decoxymethyl)-5-methoxy-1H-pyridin-4-one (PubChem CID 13376046) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-(decoxymethyl)-5-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(decoxymethyl)-5-methoxy-1H-pyridin-4-one
PubChem CID13376046
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-(decoxymethyl)-5-methoxy-1H-pyridin-4-one
SMILESCCCCCCCCCCOCc1cc(=O)c(OC)c[nH]1
InChIInChI=1S/C17H29NO3/c1-3-4-5-6-7-8-9-10-11-21-14-15-12-16(19)17(20-2)13-18-15/h12-13H,3-11,14H2,1-2H3,(H,18,19)
InChIKeySFJYJNXLIGVARJ-UHFFFAOYSA-N
XLogP4.04
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-5-octadecoxy-1H-pyridin-4-one
CID 19019338
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3-(hexoxymethyl)-4-methoxyaniline
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CID 15334165
2-methoxy-4-(tetradecoxymethyl)phenol
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CID 90670715
1-[3-(butoxymethyl)-4-methoxyphenyl]ethanone
CID 43789546
2-methoxy-4-(octoxymethyl)benzonitrile
CID 106788564
1-[4-methoxy-3-(octoxymethyl)phenyl]-N-methylmethanamine
CID 62018951
2-methoxy-6-(octoxymethyl)cyclohexa-2,5-diene-1,4-dione
CID 11780922
4-hexoxy-3,5-dimethoxyphenol
CID 10244041

Frequently Asked Questions

What is the IUPAC name of 2-(decoxymethyl)-5-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-(decoxymethyl)-5-methoxy-1H-pyridin-4-one (CID 13376046) is 2-(decoxymethyl)-5-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-(decoxymethyl)-5-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-(decoxymethyl)-5-methoxy-1H-pyridin-4-one is CCCCCCCCCCOCc1cc(=O)c(OC)c[nH]1.
What is the InChIKey of 2-(decoxymethyl)-5-methoxy-1H-pyridin-4-one?
The InChIKey is SFJYJNXLIGVARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-3-4-5-6-7-8-9-10-11-21-14-15-12-16(19)17(20-2)13-18-15/h12-13H,3-11,14H2,1-2H3,(H,18,19).
What are the key properties of 2-(decoxymethyl)-5-methoxy-1H-pyridin-4-one?
2-(decoxymethyl)-5-methoxy-1H-pyridin-4-one has a molecular weight of 295.42 g/mol, XLogP of 4.04, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(decoxymethyl)-5-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 13376046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).