1-butan-2-yl-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one

C15H24N2O3 — CID 82217134

IUPAC1-butan-2-yl-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one
SMILESCCC(C)n1c(C)cc(=O)c(O)c1CN1CCOCC1
InChIInChI=1S/C15H24N2O3/c1-4-11(2)17-12(3)9-14(18)15(19)13(17)10-16-5-7-20-8-6-16/h9,11,19H,4-8,10H2,1-3H3
InChIKeyPEYHLSYICQSMPH-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.67
Rot. Bonds4

About 1-butan-2-yl-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one

1-butan-2-yl-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one (PubChem CID 82217134) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-butan-2-yl-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name1-butan-2-yl-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one
PubChem CID82217134
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-butan-2-yl-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one
SMILESCCC(C)n1c(C)cc(=O)c(O)c1CN1CCOCC1
InChIInChI=1S/C15H24N2O3/c1-4-11(2)17-12(3)9-14(18)15(19)13(17)10-16-5-7-20-8-6-16/h9,11,19H,4-8,10H2,1-3H3
InChIKeyPEYHLSYICQSMPH-UHFFFAOYSA-N
XLogP1.67
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one?
The IUPAC name of 1-butan-2-yl-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one (CID 82217134) is 1-butan-2-yl-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one.
What is the SMILES notation for 1-butan-2-yl-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one?
The canonical SMILES for 1-butan-2-yl-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one is CCC(C)n1c(C)cc(=O)c(O)c1CN1CCOCC1.
What is the InChIKey of 1-butan-2-yl-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one?
The InChIKey is PEYHLSYICQSMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-11(2)17-12(3)9-14(18)15(19)13(17)10-16-5-7-20-8-6-16/h9,11,19H,4-8,10H2,1-3H3.
What are the key properties of 1-butan-2-yl-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one?
1-butan-2-yl-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one has a molecular weight of 280.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one is sourced from PubChem (CID 82217134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).