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

C14H24N2O3 — CID 82217761

IUPAC2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-methylpyridin-4-one
SMILESCCCCN(CC)Cc1c(O)c(=O)cc(CO)n1C
InChIInChI=1S/C14H24N2O3/c1-4-6-7-16(5-2)9-12-14(19)13(18)8-11(10-17)15(12)3/h8,17,19H,4-7,9-10H2,1-3H3
InChIKeyNPPFMAGKUMAHHL-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.21
Rot. Bonds7

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

2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-methylpyridin-4-one (PubChem CID 82217761) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-methylpyridin-4-one.

Molecular Properties

Compound Name2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-methylpyridin-4-one
PubChem CID82217761
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-methylpyridin-4-one
SMILESCCCCN(CC)Cc1c(O)c(=O)cc(CO)n1C
InChIInChI=1S/C14H24N2O3/c1-4-6-7-16(5-2)9-12-14(19)13(18)8-11(10-17)15(12)3/h8,17,19H,4-7,9-10H2,1-3H3
InChIKeyNPPFMAGKUMAHHL-UHFFFAOYSA-N
XLogP1.21
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-methylpyridin-4-one?
The IUPAC name of 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-methylpyridin-4-one (CID 82217761) is 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-methylpyridin-4-one.
What is the SMILES notation for 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-methylpyridin-4-one?
The canonical SMILES for 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-methylpyridin-4-one is CCCCN(CC)Cc1c(O)c(=O)cc(CO)n1C.
What is the InChIKey of 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-methylpyridin-4-one?
The InChIKey is NPPFMAGKUMAHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-6-7-16(5-2)9-12-14(19)13(18)8-11(10-17)15(12)3/h8,17,19H,4-7,9-10H2,1-3H3.
What are the key properties of 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-methylpyridin-4-one?
2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-methylpyridin-4-one has a molecular weight of 268.36 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-methylpyridin-4-one is sourced from PubChem (CID 82217761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).