1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one

C19H25NO2 — CID 82520385

IUPAC1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one
SMILESCCC(C)n1c(-c2ccc(C(C)C)cc2)ccc(CO)c1=O
InChIInChI=1S/C19H25NO2/c1-5-14(4)20-18(11-10-17(12-21)19(20)22)16-8-6-15(7-9-16)13(2)3/h6-11,13-14,21H,5,12H2,1-4H3
InChIKeyWSLIFALTPKDTFM-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.10
Rot. Bonds5

About 1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one

1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one (PubChem CID 82520385) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one.

Molecular Properties

Compound Name1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one
PubChem CID82520385
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one
SMILESCCC(C)n1c(-c2ccc(C(C)C)cc2)ccc(CO)c1=O
InChIInChI=1S/C19H25NO2/c1-5-14(4)20-18(11-10-17(12-21)19(20)22)16-8-6-15(7-9-16)13(2)3/h6-11,13-14,21H,5,12H2,1-4H3
InChIKeyWSLIFALTPKDTFM-UHFFFAOYSA-N
XLogP4.10
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one
CID 82517277
1-butan-2-yl-6-(2,5-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
CID 82519817
1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(sulfanylmethyl)pyridin-2-one
CID 82520018
1-ethyl-6-(4-propan-2-ylphenyl)-3-(sulfanylmethyl)pyridin-2-one
CID 82520429
1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride
CID 82519475
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519259
3-(hydroxymethyl)-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-2-one
CID 82519719
3-(1-aminoethyl)-1-butan-2-yl-6-(4-ethylphenyl)pyridin-2-one
CID 82520520
1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82519490
3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one
CID 82520486
3-(bromomethyl)-1-butan-2-yl-6-propan-2-ylpyridin-2-one
CID 82524259
2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde
CID 82520421

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one?
The IUPAC name of 1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one (CID 82520385) is 1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one.
What is the SMILES notation for 1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one?
The canonical SMILES for 1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one is CCC(C)n1c(-c2ccc(C(C)C)cc2)ccc(CO)c1=O.
What is the InChIKey of 1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one?
The InChIKey is WSLIFALTPKDTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-5-14(4)20-18(11-10-17(12-21)19(20)22)16-8-6-15(7-9-16)13(2)3/h6-11,13-14,21H,5,12H2,1-4H3.
What are the key properties of 1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one?
1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one has a molecular weight of 299.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one is sourced from PubChem (CID 82520385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).