3-(aminomethyl)-1-(4-hydroxyphenyl)pyridin-2-one

C12H12N2O2 — CID 105469670

IUPAC3-(aminomethyl)-1-(4-hydroxyphenyl)pyridin-2-one
SMILESNCc1cccn(-c2ccc(O)cc2)c1=O
InChIInChI=1S/C12H12N2O2/c13-8-9-2-1-7-14(12(9)16)10-3-5-11(15)6-4-10/h1-7,15H,8,13H2
InChIKeyLTRDFYPBBKZNIJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.00
Rot. Bonds2

About 3-(aminomethyl)-1-(4-hydroxyphenyl)pyridin-2-one

3-(aminomethyl)-1-(4-hydroxyphenyl)pyridin-2-one (PubChem CID 105469670) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(4-hydroxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(4-hydroxyphenyl)pyridin-2-one
PubChem CID105469670
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-(aminomethyl)-1-(4-hydroxyphenyl)pyridin-2-one
SMILESNCc1cccn(-c2ccc(O)cc2)c1=O
InChIInChI=1S/C12H12N2O2/c13-8-9-2-1-7-14(12(9)16)10-3-5-11(15)6-4-10/h1-7,15H,8,13H2
InChIKeyLTRDFYPBBKZNIJ-UHFFFAOYSA-N
XLogP1.00
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-1-(4-hydroxyphenyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(4-hydroxyphenyl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-(4-hydroxyphenyl)pyridin-2-one (CID 105469670) is 3-(aminomethyl)-1-(4-hydroxyphenyl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(4-hydroxyphenyl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(4-hydroxyphenyl)pyridin-2-one is NCc1cccn(-c2ccc(O)cc2)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-(4-hydroxyphenyl)pyridin-2-one?
The InChIKey is LTRDFYPBBKZNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-8-9-2-1-7-14(12(9)16)10-3-5-11(15)6-4-10/h1-7,15H,8,13H2.
What are the key properties of 3-(aminomethyl)-1-(4-hydroxyphenyl)pyridin-2-one?
3-(aminomethyl)-1-(4-hydroxyphenyl)pyridin-2-one has a molecular weight of 216.24 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(4-hydroxyphenyl)pyridin-2-one is sourced from PubChem (CID 105469670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).