5-[4-[(3-hydroxyazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one

C19H24N2O4 — CID 118796361

IUPAC5-[4-[(3-hydroxyazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one
SMILESCOc1cc(-c2cc(C)c(=O)n(C)c2)cc(OC)c1CN1CC(O)C1
InChIInChI=1S/C19H24N2O4/c1-12-5-14(8-20(2)19(12)23)13-6-17(24-3)16(18(7-13)25-4)11-21-9-15(22)10-21/h5-8,15,22H,9-11H2,1-4H3
InChIKeyYZIWDEXMYWHXDR-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.55
Rot. Bonds5

About 5-[4-[(3-hydroxyazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one

5-[4-[(3-hydroxyazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one (PubChem CID 118796361) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 5-[4-[(3-hydroxyazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[4-[(3-hydroxyazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one
PubChem CID118796361
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name5-[4-[(3-hydroxyazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one
SMILESCOc1cc(-c2cc(C)c(=O)n(C)c2)cc(OC)c1CN1CC(O)C1
InChIInChI=1S/C19H24N2O4/c1-12-5-14(8-20(2)19(12)23)13-6-17(24-3)16(18(7-13)25-4)11-21-9-15(22)10-21/h5-8,15,22H,9-11H2,1-4H3
InChIKeyYZIWDEXMYWHXDR-UHFFFAOYSA-N
XLogP1.55
TPSA63.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-{4-[(Dimethylamino)methyl]-3,5-dimethoxyphenyl}-1,3,6-trimethyl-1,2-dihydro-pyridin-2-one
CID 119098887
5-[4-[(Dimethylamino)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one
CID 127049279
5-[4-[(3-Aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one
CID 127050405
5-[4-[(Dimethylamino)methyl]-3-methoxyphenyl]-1,3-dimethyl-2(1h)-pyridinone
CID 127050492
2(1H)-Pyridinone, 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethyl-
CID 127051725
3-amino-5-(4-((dimethylamino)methyl)-3,5-dimethoxyphenyl)-1-methylpyridin-2(1H)-one
CID 139370926
1-[[4-(1,5-Dimethyl-6-oxo-3-pyridinyl)-2,6-dimethoxyphenyl]methyl]azetidine-3-carboxylic acid
CID 139370936
N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]acetamide
CID 139371043
N-(5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)propanamide
CID 139371221
N-(5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1,4-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)propanamide
CID 139371134
[2,6-Dimethoxy-4-(1,2,5-trimethyl-6-oxidanylidene-pyridin-3-yl)phenyl]methyl-dimethyl-azanium
CID 168301719
5-[4-[(3,3-Difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one
CID 164719693

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-hydroxyazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[4-[(3-hydroxyazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one (CID 118796361) is 5-[4-[(3-hydroxyazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[4-[(3-hydroxyazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[4-[(3-hydroxyazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one is COc1cc(-c2cc(C)c(=O)n(C)c2)cc(OC)c1CN1CC(O)C1.
What is the InChIKey of 5-[4-[(3-hydroxyazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one?
The InChIKey is YZIWDEXMYWHXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12-5-14(8-20(2)19(12)23)13-6-17(24-3)16(18(7-13)25-4)11-21-9-15(22)10-21/h5-8,15,22H,9-11H2,1-4H3.
What are the key properties of 5-[4-[(3-hydroxyazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one?
5-[4-[(3-hydroxyazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one has a molecular weight of 344.41 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-hydroxyazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 118796361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).