1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one

C18H23NO3 — CID 82517277

IUPAC1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one
SMILESCCC(C)n1c(-c2ccc(OC)c(C)c2)ccc(CO)c1=O
InChIInChI=1S/C18H23NO3/c1-5-13(3)19-16(8-6-15(11-20)18(19)21)14-7-9-17(22-4)12(2)10-14/h6-10,13,20H,5,11H2,1-4H3
InChIKeyMLQAVXSYIPPTBK-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.30
Rot. Bonds5

About 1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one

1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one (PubChem CID 82517277) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one.

Molecular Properties

Compound Name1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one
PubChem CID82517277
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one
SMILESCCC(C)n1c(-c2ccc(OC)c(C)c2)ccc(CO)c1=O
InChIInChI=1S/C18H23NO3/c1-5-13(3)19-16(8-6-15(11-20)18(19)21)14-7-9-17(22-4)12(2)10-14/h6-10,13,20H,5,11H2,1-4H3
InChIKeyMLQAVXSYIPPTBK-UHFFFAOYSA-N
XLogP3.30
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile
CID 82517316
1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(sulfanylmethyl)pyridin-2-one
CID 82520018
1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one
CID 82520385
1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one
CID 82520022
1-butan-2-yl-6-(2,5-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
CID 82519817
3-(aminomethyl)-1-butan-2-yl-6-(2-methoxy-5-methylphenyl)pyridin-2-one
CID 82517397
2-[6-(4-methoxy-3-methylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetyl chloride
CID 82517344
3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one
CID 82517389
6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
CID 82517171
3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one
CID 82517327
3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one
CID 82189342
3-(hydroxymethyl)-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-2-one
CID 82519719

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one?
The IUPAC name of 1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one (CID 82517277) is 1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one.
What is the SMILES notation for 1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one?
The canonical SMILES for 1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one is CCC(C)n1c(-c2ccc(OC)c(C)c2)ccc(CO)c1=O.
What is the InChIKey of 1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one?
The InChIKey is MLQAVXSYIPPTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-5-13(3)19-16(8-6-15(11-20)18(19)21)14-7-9-17(22-4)12(2)10-14/h6-10,13,20H,5,11H2,1-4H3.
What are the key properties of 1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one?
1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one has a molecular weight of 301.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one is sourced from PubChem (CID 82517277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).