1-butyl-6-hydroxy-4-methyl-5-(methylamino)pyridin-2-one

C11H18N2O2 — CID 70136005

IUPAC1-butyl-6-hydroxy-4-methyl-5-(methylamino)pyridin-2-one
SMILESCCCCn1c(O)c(NC)c(C)cc1=O
InChIInChI=1S/C11H18N2O2/c1-4-5-6-13-9(14)7-8(2)10(12-3)11(13)15/h7,12,15H,4-6H2,1-3H3
InChIKeyJXWXSQGVAWCDEM-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.70
Rot. Bonds4

About 1-butyl-6-hydroxy-4-methyl-5-(methylamino)pyridin-2-one

1-butyl-6-hydroxy-4-methyl-5-(methylamino)pyridin-2-one (PubChem CID 70136005) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-butyl-6-hydroxy-4-methyl-5-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name1-butyl-6-hydroxy-4-methyl-5-(methylamino)pyridin-2-one
PubChem CID70136005
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-butyl-6-hydroxy-4-methyl-5-(methylamino)pyridin-2-one
SMILESCCCCn1c(O)c(NC)c(C)cc1=O
InChIInChI=1S/C11H18N2O2/c1-4-5-6-13-9(14)7-8(2)10(12-3)11(13)15/h7,12,15H,4-6H2,1-3H3
InChIKeyJXWXSQGVAWCDEM-UHFFFAOYSA-N
XLogP1.70
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-hydroxy-4-methyl-5-(methylamino)pyridin-2-one?
The IUPAC name of 1-butyl-6-hydroxy-4-methyl-5-(methylamino)pyridin-2-one (CID 70136005) is 1-butyl-6-hydroxy-4-methyl-5-(methylamino)pyridin-2-one.
What is the SMILES notation for 1-butyl-6-hydroxy-4-methyl-5-(methylamino)pyridin-2-one?
The canonical SMILES for 1-butyl-6-hydroxy-4-methyl-5-(methylamino)pyridin-2-one is CCCCn1c(O)c(NC)c(C)cc1=O.
What is the InChIKey of 1-butyl-6-hydroxy-4-methyl-5-(methylamino)pyridin-2-one?
The InChIKey is JXWXSQGVAWCDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-5-6-13-9(14)7-8(2)10(12-3)11(13)15/h7,12,15H,4-6H2,1-3H3.
What are the key properties of 1-butyl-6-hydroxy-4-methyl-5-(methylamino)pyridin-2-one?
1-butyl-6-hydroxy-4-methyl-5-(methylamino)pyridin-2-one has a molecular weight of 210.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-hydroxy-4-methyl-5-(methylamino)pyridin-2-one is sourced from PubChem (CID 70136005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).