2-[[benzyl(propan-2-yl)amino]methyl]-5-hydroxy-1-propan-2-ylpyridin-4-one

C19H26N2O2 — CID 94959931

IUPAC2-[[benzyl(propan-2-yl)amino]methyl]-5-hydroxy-1-propan-2-ylpyridin-4-one
SMILESCC(C)N(Cc1ccccc1)Cc1cc(=O)c(O)cn1C(C)C
InChIInChI=1S/C19H26N2O2/c1-14(2)20(11-16-8-6-5-7-9-16)12-17-10-18(22)19(23)13-21(17)15(3)4/h5-10,13-15,23H,11-12H2,1-4H3
InChIKeyOCQZZIPEVYPGOL-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.55
Rot. Bonds6

About 2-[[benzyl(propan-2-yl)amino]methyl]-5-hydroxy-1-propan-2-ylpyridin-4-one

2-[[benzyl(propan-2-yl)amino]methyl]-5-hydroxy-1-propan-2-ylpyridin-4-one (PubChem CID 94959931) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[[benzyl(propan-2-yl)amino]methyl]-5-hydroxy-1-propan-2-ylpyridin-4-one.

Molecular Properties

Compound Name2-[[benzyl(propan-2-yl)amino]methyl]-5-hydroxy-1-propan-2-ylpyridin-4-one
PubChem CID94959931
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-[[benzyl(propan-2-yl)amino]methyl]-5-hydroxy-1-propan-2-ylpyridin-4-one
SMILESCC(C)N(Cc1ccccc1)Cc1cc(=O)c(O)cn1C(C)C
InChIInChI=1S/C19H26N2O2/c1-14(2)20(11-16-8-6-5-7-9-16)12-17-10-18(22)19(23)13-21(17)15(3)4/h5-10,13-15,23H,11-12H2,1-4H3
InChIKeyOCQZZIPEVYPGOL-UHFFFAOYSA-N
XLogP3.55
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-4-one
CID 82218251
2-[[benzyl(propan-2-yl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
CID 82217765
5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpyridin-4-one
CID 82218244
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol
CID 58405259
N-benzyl-N-[(4-bromothiophen-2-yl)methyl]propan-2-amine
CID 63464320
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329
2-[3-[[benzyl(propan-2-yl)amino]methyl]phenyl]acetonitrile
CID 82135626
tert-butyl 3-[benzyl(propan-2-yl)amino]propanoate
CID 115590839
4-[2-[benzyl(propan-2-yl)amino]acetyl]piperazin-2-one
CID 34557661
3-[benzyl(ethyl)amino]-2-methylbutanoic acid
CID 79406218

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(propan-2-yl)amino]methyl]-5-hydroxy-1-propan-2-ylpyridin-4-one?
The IUPAC name of 2-[[benzyl(propan-2-yl)amino]methyl]-5-hydroxy-1-propan-2-ylpyridin-4-one (CID 94959931) is 2-[[benzyl(propan-2-yl)amino]methyl]-5-hydroxy-1-propan-2-ylpyridin-4-one.
What is the SMILES notation for 2-[[benzyl(propan-2-yl)amino]methyl]-5-hydroxy-1-propan-2-ylpyridin-4-one?
The canonical SMILES for 2-[[benzyl(propan-2-yl)amino]methyl]-5-hydroxy-1-propan-2-ylpyridin-4-one is CC(C)N(Cc1ccccc1)Cc1cc(=O)c(O)cn1C(C)C.
What is the InChIKey of 2-[[benzyl(propan-2-yl)amino]methyl]-5-hydroxy-1-propan-2-ylpyridin-4-one?
The InChIKey is OCQZZIPEVYPGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14(2)20(11-16-8-6-5-7-9-16)12-17-10-18(22)19(23)13-21(17)15(3)4/h5-10,13-15,23H,11-12H2,1-4H3.
What are the key properties of 2-[[benzyl(propan-2-yl)amino]methyl]-5-hydroxy-1-propan-2-ylpyridin-4-one?
2-[[benzyl(propan-2-yl)amino]methyl]-5-hydroxy-1-propan-2-ylpyridin-4-one has a molecular weight of 314.43 g/mol, XLogP of 3.55, 6 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]-5-hydroxy-1-propan-2-ylpyridin-4-one is sourced from PubChem (CID 94959931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).