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

C17H30N2O2 — CID 82217120

IUPAC1-butan-2-yl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one
SMILESCCCCN(CC)Cc1c(O)c(=O)cc(C)n1C(C)CC
InChIInChI=1S/C17H30N2O2/c1-6-9-10-18(8-3)12-15-17(21)16(20)11-14(5)19(15)13(4)7-2/h11,13,21H,6-10,12H2,1-5H3
InChIKeyLWCTXLULICAIFA-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.46
Rot. Bonds8

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

1-butan-2-yl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one (PubChem CID 82217120) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-butan-2-yl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one.

Molecular Properties

Compound Name1-butan-2-yl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one
PubChem CID82217120
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-butan-2-yl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one
SMILESCCCCN(CC)Cc1c(O)c(=O)cc(C)n1C(C)CC
InChIInChI=1S/C17H30N2O2/c1-6-9-10-18(8-3)12-15-17(21)16(20)11-14(5)19(15)13(4)7-2/h11,13,21H,6-10,12H2,1-5H3
InChIKeyLWCTXLULICAIFA-UHFFFAOYSA-N
XLogP3.46
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.46
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(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one?
The IUPAC name of 1-butan-2-yl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one (CID 82217120) is 1-butan-2-yl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one.
What is the SMILES notation for 1-butan-2-yl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one?
The canonical SMILES for 1-butan-2-yl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one is CCCCN(CC)Cc1c(O)c(=O)cc(C)n1C(C)CC.
What is the InChIKey of 1-butan-2-yl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one?
The InChIKey is LWCTXLULICAIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-6-9-10-18(8-3)12-15-17(21)16(20)11-14(5)19(15)13(4)7-2/h11,13,21H,6-10,12H2,1-5H3.
What are the key properties of 1-butan-2-yl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one?
1-butan-2-yl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one has a molecular weight of 294.44 g/mol, XLogP of 3.46, 8 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(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one is sourced from PubChem (CID 82217120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).