1,5-dibutoxy-2-(methylaminomethyl)pyridin-4-one

C15H26N2O3 — CID 118102221

IUPAC1,5-dibutoxy-2-(methylaminomethyl)pyridin-4-one
SMILESCCCCOc1cn(OCCCC)c(CNC)cc1=O
InChIInChI=1S/C15H26N2O3/c1-4-6-8-19-15-12-17(20-9-7-5-2)13(11-16-3)10-14(15)18/h10,12,16H,4-9,11H2,1-3H3
InChIKeyGJLLQHNVNWCANR-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.98
Rot. Bonds10

About 1,5-dibutoxy-2-(methylaminomethyl)pyridin-4-one

1,5-dibutoxy-2-(methylaminomethyl)pyridin-4-one (PubChem CID 118102221) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1,5-dibutoxy-2-(methylaminomethyl)pyridin-4-one.

Molecular Properties

Compound Name1,5-dibutoxy-2-(methylaminomethyl)pyridin-4-one
PubChem CID118102221
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1,5-dibutoxy-2-(methylaminomethyl)pyridin-4-one
SMILESCCCCOc1cn(OCCCC)c(CNC)cc1=O
InChIInChI=1S/C15H26N2O3/c1-4-6-8-19-15-12-17(20-9-7-5-2)13(11-16-3)10-14(15)18/h10,12,16H,4-9,11H2,1-3H3
InChIKeyGJLLQHNVNWCANR-UHFFFAOYSA-N
XLogP1.98
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Azidomethyl-5-propoxy-pyridin-4-ol
CID 42625825
2-Aminomethyl-5-propoxy-pyridin-4-ol
CID 42625826
2-Aminomethyl-5-methoxy-pyridin-4-ol
CID 42625910
2-aminomethyl-1-methyl-5-propoxy-1H-pyridin-4-one
CID 59300156
3-butoxy-N-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 67471510
2-(Aminomethyl)-1,5-dibutoxypyridin-4-one
CID 67963607
2-(aminomethyl)-5-butoxy-1H-pyridin-4-one
CID 67963609
2-(Aminomethyl)-3-butoxy-1,6-dimethylpyridin-4-one
CID 69296904
5-Butoxy-2-[(dimethylamino)methyl]-1-methylpyridin-4-one
CID 70805132
5-butoxy-2-[(hydroxyamino)methyl]-1H-pyridin-4-one
CID 118102123
1,5-Dibutoxy-2-[(hydroxyamino)methyl]pyridin-4-one
CID 118102216
5-ethoxy-N'-hydroxy-4-oxo-1H-pyridine-2-carboximidamide
CID 153382425

Frequently Asked Questions

What is the IUPAC name of 1,5-dibutoxy-2-(methylaminomethyl)pyridin-4-one?
The IUPAC name of 1,5-dibutoxy-2-(methylaminomethyl)pyridin-4-one (CID 118102221) is 1,5-dibutoxy-2-(methylaminomethyl)pyridin-4-one.
What is the SMILES notation for 1,5-dibutoxy-2-(methylaminomethyl)pyridin-4-one?
The canonical SMILES for 1,5-dibutoxy-2-(methylaminomethyl)pyridin-4-one is CCCCOc1cn(OCCCC)c(CNC)cc1=O.
What is the InChIKey of 1,5-dibutoxy-2-(methylaminomethyl)pyridin-4-one?
The InChIKey is GJLLQHNVNWCANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-6-8-19-15-12-17(20-9-7-5-2)13(11-16-3)10-14(15)18/h10,12,16H,4-9,11H2,1-3H3.
What are the key properties of 1,5-dibutoxy-2-(methylaminomethyl)pyridin-4-one?
1,5-dibutoxy-2-(methylaminomethyl)pyridin-4-one has a molecular weight of 282.38 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibutoxy-2-(methylaminomethyl)pyridin-4-one is sourced from PubChem (CID 118102221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).