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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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).