2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-(2-methoxyethyl)pyridin-4-one

C15H26N2O4 — CID 82217683

IUPAC2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-(2-methoxyethyl)pyridin-4-one
SMILESCCCCN(C)Cc1c(O)c(=O)cc(CO)n1CCOC
InChIInChI=1S/C15H26N2O4/c1-4-5-6-16(2)10-13-15(20)14(19)9-12(11-18)17(13)7-8-21-3/h9,18,20H,4-8,10-11H2,1-3H3
InChIKeyMXDSCBMYRVLCDH-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.92
Rot. Bonds9

About 2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-(2-methoxyethyl)pyridin-4-one

2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-(2-methoxyethyl)pyridin-4-one (PubChem CID 82217683) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-(2-methoxyethyl)pyridin-4-one.

Molecular Properties

Compound Name2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-(2-methoxyethyl)pyridin-4-one
PubChem CID82217683
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-(2-methoxyethyl)pyridin-4-one
SMILESCCCCN(C)Cc1c(O)c(=O)cc(CO)n1CCOC
InChIInChI=1S/C15H26N2O4/c1-4-5-6-16(2)10-13-15(20)14(19)9-12(11-18)17(13)7-8-21-3/h9,18,20H,4-8,10-11H2,1-3H3
InChIKeyMXDSCBMYRVLCDH-UHFFFAOYSA-N
XLogP0.92
TPSA74.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-(2-methoxyethyl)pyridin-4-one?
The IUPAC name of 2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-(2-methoxyethyl)pyridin-4-one (CID 82217683) is 2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-(2-methoxyethyl)pyridin-4-one.
What is the SMILES notation for 2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-(2-methoxyethyl)pyridin-4-one?
The canonical SMILES for 2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-(2-methoxyethyl)pyridin-4-one is CCCCN(C)Cc1c(O)c(=O)cc(CO)n1CCOC.
What is the InChIKey of 2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-(2-methoxyethyl)pyridin-4-one?
The InChIKey is MXDSCBMYRVLCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-4-5-6-16(2)10-13-15(20)14(19)9-12(11-18)17(13)7-8-21-3/h9,18,20H,4-8,10-11H2,1-3H3.
What are the key properties of 2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-(2-methoxyethyl)pyridin-4-one?
2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-(2-methoxyethyl)pyridin-4-one has a molecular weight of 298.38 g/mol, XLogP of 0.92, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-(2-methoxyethyl)pyridin-4-one is sourced from PubChem (CID 82217683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).