2-[[benzyl(methyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one

C18H22N2O2 — CID 82217575

IUPAC2-[[benzyl(methyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one
SMILESC=CCn1c(C)cc(=O)c(O)c1CN(C)Cc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-4-10-20-14(2)11-17(21)18(22)16(20)13-19(3)12-15-8-6-5-7-9-15/h4-9,11,22H,1,10,12-13H2,2-3H3
InChIKeyHAIRWNNVTVGSHK-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.68
Rot. Bonds6

About 2-[[benzyl(methyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one

2-[[benzyl(methyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one (PubChem CID 82217575) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[[benzyl(methyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one.

Molecular Properties

Compound Name2-[[benzyl(methyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one
PubChem CID82217575
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-[[benzyl(methyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one
SMILESC=CCn1c(C)cc(=O)c(O)c1CN(C)Cc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-4-10-20-14(2)11-17(21)18(22)16(20)13-19(3)12-15-8-6-5-7-9-15/h4-9,11,22H,1,10,12-13H2,2-3H3
InChIKeyHAIRWNNVTVGSHK-UHFFFAOYSA-N
XLogP2.68
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[benzyl(methyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-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

2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one
CID 94958968
2-[(dimethylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-prop-2-enylpyridin-4-one
CID 82217591
2-[[benzyl(propan-2-yl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
CID 82217765
3-hydroxy-1-(2-hydroxyethyl)-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methylpyridin-4-one
CID 82217175
2-[[3-hydroxy-1-(2-hydroxyethyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
CID 82217173
2-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridin-4-one
CID 82217638
1-benzyl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)pyridin-4-one
CID 94958935
6-methyl-4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid
CID 66941827
2-[[benzyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
CID 82217802
2-[[3-hydroxy-6-methyl-1-(3-methylbutyl)-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
CID 82217904
N-benzyl-N-methylbut-3-en-1-amine
CID 10702410
2-[[benzyl(methyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one
CID 1478122

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(methyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one?
The IUPAC name of 2-[[benzyl(methyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one (CID 82217575) is 2-[[benzyl(methyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one.
What is the SMILES notation for 2-[[benzyl(methyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one?
The canonical SMILES for 2-[[benzyl(methyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one is C=CCn1c(C)cc(=O)c(O)c1CN(C)Cc1ccccc1.
What is the InChIKey of 2-[[benzyl(methyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one?
The InChIKey is HAIRWNNVTVGSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-10-20-14(2)11-17(21)18(22)16(20)13-19(3)12-15-8-6-5-7-9-15/h4-9,11,22H,1,10,12-13H2,2-3H3.
What are the key properties of 2-[[benzyl(methyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one?
2-[[benzyl(methyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one has a molecular weight of 298.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(methyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one is sourced from PubChem (CID 82217575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).