2-[[benzyl(propan-2-yl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one

C18H24N2O2 — CID 82217765

IUPAC2-[[benzyl(propan-2-yl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
SMILESCc1cc(=O)c(O)c(CN(Cc2ccccc2)C(C)C)n1C
InChIInChI=1S/C18H24N2O2/c1-13(2)20(11-15-8-6-5-7-9-15)12-16-18(22)17(21)10-14(3)19(16)4/h5-10,13,22H,11-12H2,1-4H3
InChIKeyGJTRYERBOVJCDX-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.81
Rot. Bonds5

About 2-[[benzyl(propan-2-yl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one

2-[[benzyl(propan-2-yl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one (PubChem CID 82217765) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[[benzyl(propan-2-yl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name2-[[benzyl(propan-2-yl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
PubChem CID82217765
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-[[benzyl(propan-2-yl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
SMILESCc1cc(=O)c(O)c(CN(Cc2ccccc2)C(C)C)n1C
InChIInChI=1S/C18H24N2O2/c1-13(2)20(11-15-8-6-5-7-9-15)12-16-18(22)17(21)10-14(3)19(16)4/h5-10,13,22H,11-12H2,1-4H3
InChIKeyGJTRYERBOVJCDX-UHFFFAOYSA-N
XLogP2.81
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[benzyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
CID 82217802
2-[[benzyl(propan-2-yl)amino]methyl]-5-hydroxy-1-propan-2-ylpyridin-4-one
CID 94959931
2-[[benzyl(methyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one
CID 82217575
2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
CID 82217760
bis(2-(aminomethyl)-3-hydroxy-1,6-dimethylpyridin-4-one);trihydrochloride
CID 172810517
3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol
CID 58405259
N-benzyl-N-propan-2-ylacetamide
CID 23534449
1-benzyl-3-(1,5-dimethylpyrazol-3-yl)-1-propan-2-ylurea
CID 108813256
3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-propan-2-ylpyridin-4-one
CID 82217447
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one
CID 10913107
3-[benzyl(propan-2-yl)amino]-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 59570704

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(propan-2-yl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one?
The IUPAC name of 2-[[benzyl(propan-2-yl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one (CID 82217765) is 2-[[benzyl(propan-2-yl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one.
What is the SMILES notation for 2-[[benzyl(propan-2-yl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one?
The canonical SMILES for 2-[[benzyl(propan-2-yl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one is Cc1cc(=O)c(O)c(CN(Cc2ccccc2)C(C)C)n1C.
What is the InChIKey of 2-[[benzyl(propan-2-yl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one?
The InChIKey is GJTRYERBOVJCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(2)20(11-15-8-6-5-7-9-15)12-16-18(22)17(21)10-14(3)19(16)4/h5-10,13,22H,11-12H2,1-4H3.
What are the key properties of 2-[[benzyl(propan-2-yl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one?
2-[[benzyl(propan-2-yl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one has a molecular weight of 300.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(propan-2-yl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one is sourced from PubChem (CID 82217765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).