1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one

C23H28N2O6 — CID 158779776

IUPAC1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1CCO.Cc1c(OCc2ccccc2)c(=O)ccn1CCO
InChIInChI=1S/C15H17NO3.C8H11NO3/c1-12-15(14(18)7-8-16(12)9-10-17)19-11-13-5-3-2-4-6-13;1-6-8(12)7(11)2-3-9(6)4-5-10/h2-8,17H,9-11H2,1H3;2-3,10,12H,4-5H2,1H3
InChIKeyIQXSDGGWQRYVJR-UHFFFAOYSA-N
MW428.49 g/mol
LogP1.58
Rot. Bonds7

About 1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one

1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one (PubChem CID 158779776) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one
PubChem CID158779776
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC Name1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1CCO.Cc1c(OCc2ccccc2)c(=O)ccn1CCO
InChIInChI=1S/C15H17NO3.C8H11NO3/c1-12-15(14(18)7-8-16(12)9-10-17)19-11-13-5-3-2-4-6-13;1-6-8(12)7(11)2-3-9(6)4-5-10/h2-8,17H,9-11H2,1H3;2-3,10,12H,4-5H2,1H3
InChIKeyIQXSDGGWQRYVJR-UHFFFAOYSA-N
XLogP1.58
TPSA113.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-2-hydroxy-2-phenylethyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 170560126
1-[5-(benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 162669599
1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide
CID 143761971
1-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 170560096
2-[(4-chlorophenyl)-hydroxymethyl]-1-(2-hydroxyethyl)-3-phenylmethoxypyridin-4-one
CID 21474316
3-hydroxy-1-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one
CID 19821577
3-hydroxy-1-(2-hydroxyethoxymethyl)-2-methylpyridin-4-one
CID 10821844
1-[6-[(2-methoxyphenyl)methylamino]hexyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 162663321
1-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 170560153
2-[bis[1-(hydroxyamino)-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]-1-oxopropan-2-yl]amino]-N-hydroxy-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propanamide
CID 87525030
2-ethyl-1-(2-fluoroethyl)-3-phenylmethoxypyridin-4-one
CID 118407952
N-(2-fluorophenyl)-2-[[1-(2-hydroxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
CID 121239626

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one?
The IUPAC name of 1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one (CID 158779776) is 1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one?
The canonical SMILES for 1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one is Cc1c(O)c(=O)ccn1CCO.Cc1c(OCc2ccccc2)c(=O)ccn1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one?
The InChIKey is IQXSDGGWQRYVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3.C8H11NO3/c1-12-15(14(18)7-8-16(12)9-10-17)19-11-13-5-3-2-4-6-13;1-6-8(12)7(11)2-3-9(6)4-5-10/h2-8,17H,9-11H2,1H3;2-3,10,12H,4-5H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one?
1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one has a molecular weight of 428.49 g/mol, XLogP of 1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one is sourced from PubChem (CID 158779776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).