1-butan-2-yl-2-(diethylaminomethyl)-3-hydroxy-6-methylpyridin-4-one

C15H26N2O2 — CID 82217128

IUPAC1-butan-2-yl-2-(diethylaminomethyl)-3-hydroxy-6-methylpyridin-4-one
SMILESCCC(C)n1c(C)cc(=O)c(O)c1CN(CC)CC
InChIInChI=1S/C15H26N2O2/c1-6-11(4)17-12(5)9-14(18)15(19)13(17)10-16(7-2)8-3/h9,11,19H,6-8,10H2,1-5H3
InChIKeyVKQNIEALKQDCEN-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.68
Rot. Bonds6

About 1-butan-2-yl-2-(diethylaminomethyl)-3-hydroxy-6-methylpyridin-4-one

1-butan-2-yl-2-(diethylaminomethyl)-3-hydroxy-6-methylpyridin-4-one (PubChem CID 82217128) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-butan-2-yl-2-(diethylaminomethyl)-3-hydroxy-6-methylpyridin-4-one.

Molecular Properties

Compound Name1-butan-2-yl-2-(diethylaminomethyl)-3-hydroxy-6-methylpyridin-4-one
PubChem CID82217128
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-butan-2-yl-2-(diethylaminomethyl)-3-hydroxy-6-methylpyridin-4-one
SMILESCCC(C)n1c(C)cc(=O)c(O)c1CN(CC)CC
InChIInChI=1S/C15H26N2O2/c1-6-11(4)17-12(5)9-14(18)15(19)13(17)10-16(7-2)8-3/h9,11,19H,6-8,10H2,1-5H3
InChIKeyVKQNIEALKQDCEN-UHFFFAOYSA-N
XLogP2.68
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.68
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-(diethylaminomethyl)-3-hydroxy-6-methylpyridin-4-one?
The IUPAC name of 1-butan-2-yl-2-(diethylaminomethyl)-3-hydroxy-6-methylpyridin-4-one (CID 82217128) is 1-butan-2-yl-2-(diethylaminomethyl)-3-hydroxy-6-methylpyridin-4-one.
What is the SMILES notation for 1-butan-2-yl-2-(diethylaminomethyl)-3-hydroxy-6-methylpyridin-4-one?
The canonical SMILES for 1-butan-2-yl-2-(diethylaminomethyl)-3-hydroxy-6-methylpyridin-4-one is CCC(C)n1c(C)cc(=O)c(O)c1CN(CC)CC.
What is the InChIKey of 1-butan-2-yl-2-(diethylaminomethyl)-3-hydroxy-6-methylpyridin-4-one?
The InChIKey is VKQNIEALKQDCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-6-11(4)17-12(5)9-14(18)15(19)13(17)10-16(7-2)8-3/h9,11,19H,6-8,10H2,1-5H3.
What are the key properties of 1-butan-2-yl-2-(diethylaminomethyl)-3-hydroxy-6-methylpyridin-4-one?
1-butan-2-yl-2-(diethylaminomethyl)-3-hydroxy-6-methylpyridin-4-one has a molecular weight of 266.38 g/mol, XLogP of 2.68, 6 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-(diethylaminomethyl)-3-hydroxy-6-methylpyridin-4-one is sourced from PubChem (CID 82217128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).