4-(aminomethyl)-1-benzyl-3-hydroxypyridin-2-one

C13H14N2O2 — CID 58252389

IUPAC4-(aminomethyl)-1-benzyl-3-hydroxypyridin-2-one
SMILESNCc1ccn(Cc2ccccc2)c(=O)c1O
InChIInChI=1S/C13H14N2O2/c14-8-11-6-7-15(13(17)12(11)16)9-10-4-2-1-3-5-10/h1-7,16H,8-9,14H2
InChIKeyKGPLFHPPYRKHEU-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.06
Rot. Bonds3

About 4-(aminomethyl)-1-benzyl-3-hydroxypyridin-2-one

4-(aminomethyl)-1-benzyl-3-hydroxypyridin-2-one (PubChem CID 58252389) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(aminomethyl)-1-benzyl-3-hydroxypyridin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-benzyl-3-hydroxypyridin-2-one
PubChem CID58252389
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-(aminomethyl)-1-benzyl-3-hydroxypyridin-2-one
SMILESNCc1ccn(Cc2ccccc2)c(=O)c1O
InChIInChI=1S/C13H14N2O2/c14-8-11-6-7-15(13(17)12(11)16)9-10-4-2-1-3-5-10/h1-7,16H,8-9,14H2
InChIKeyKGPLFHPPYRKHEU-UHFFFAOYSA-N
XLogP1.06
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-hydroxy-4-(4-methoxybutyl)pyridin-2-one
CID 158247529
4-(azepan-4-ylmethyl)-1-benzyl-3-hydroxypyridin-2-one
CID 141088427
1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one
CID 162561019
1-benzyl-3-hydroxy-4-[[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methyl]pyridin-2-one
CID 58252605
4-amino-1-benzyl-2-oxopyridine-3-carbonitrile
CID 794120
3-hydroxy-1-(2-phenylethyl)-4-(thiomorpholin-4-ylmethyl)pyridin-2-one
CID 163673337
1-[(3-chlorophenyl)methyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one
CID 67193433
2-benzyl-8,9-dihydroxypyrido[1,2-a]pyrazine-1,6-dione
CID 54683719
1-benzyl-3-ethyl-2-methylpyrrole
CID 135021751
4-[[1-[(3-bromophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylic acid
CID 118306860
4-amino-1-[(2E,4E)-5-amino-5-[4-[(1-benzyl-3-hydroxy-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]penta-2,4-dien-2-yl]pyrimidin-2-one
CID 138628377
6-benzyl-4-hydroxy-1-iodo-5-oxo-2,6-naphthyridine-3-carboxylic acid
CID 141445682

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-benzyl-3-hydroxypyridin-2-one?
The IUPAC name of 4-(aminomethyl)-1-benzyl-3-hydroxypyridin-2-one (CID 58252389) is 4-(aminomethyl)-1-benzyl-3-hydroxypyridin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-benzyl-3-hydroxypyridin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-benzyl-3-hydroxypyridin-2-one is NCc1ccn(Cc2ccccc2)c(=O)c1O.
What is the InChIKey of 4-(aminomethyl)-1-benzyl-3-hydroxypyridin-2-one?
The InChIKey is KGPLFHPPYRKHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-8-11-6-7-15(13(17)12(11)16)9-10-4-2-1-3-5-10/h1-7,16H,8-9,14H2.
What are the key properties of 4-(aminomethyl)-1-benzyl-3-hydroxypyridin-2-one?
4-(aminomethyl)-1-benzyl-3-hydroxypyridin-2-one has a molecular weight of 230.27 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-benzyl-3-hydroxypyridin-2-one is sourced from PubChem (CID 58252389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).