1-butan-2-yl-2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one

C16H28N2O2 — CID 82217138

IUPAC1-butan-2-yl-2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one
SMILESCCCCN(C)Cc1c(O)c(=O)cc(C)n1C(C)CC
InChIInChI=1S/C16H28N2O2/c1-6-8-9-17(5)11-14-16(20)15(19)10-13(4)18(14)12(3)7-2/h10,12,20H,6-9,11H2,1-5H3
InChIKeyJUTRPJQUYZIDGD-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.07
Rot. Bonds7

About 1-butan-2-yl-2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one

1-butan-2-yl-2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one (PubChem CID 82217138) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-butan-2-yl-2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one.

Molecular Properties

Compound Name1-butan-2-yl-2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one
PubChem CID82217138
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-butan-2-yl-2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one
SMILESCCCCN(C)Cc1c(O)c(=O)cc(C)n1C(C)CC
InChIInChI=1S/C16H28N2O2/c1-6-8-9-17(5)11-14-16(20)15(19)10-13(4)18(14)12(3)7-2/h10,12,20H,6-9,11H2,1-5H3
InChIKeyJUTRPJQUYZIDGD-UHFFFAOYSA-N
XLogP3.07
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one?
The IUPAC name of 1-butan-2-yl-2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one (CID 82217138) is 1-butan-2-yl-2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one.
What is the SMILES notation for 1-butan-2-yl-2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one?
The canonical SMILES for 1-butan-2-yl-2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one is CCCCN(C)Cc1c(O)c(=O)cc(C)n1C(C)CC.
What is the InChIKey of 1-butan-2-yl-2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one?
The InChIKey is JUTRPJQUYZIDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-8-9-17(5)11-14-16(20)15(19)10-13(4)18(14)12(3)7-2/h10,12,20H,6-9,11H2,1-5H3.
What are the key properties of 1-butan-2-yl-2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one?
1-butan-2-yl-2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one has a molecular weight of 280.41 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one is sourced from PubChem (CID 82217138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).