4-hydroxy-6-methyl-3-[(1S)-1-(methylamino)ethyl]-1H-pyridin-2-one

C9H14N2O2 — CID 130631562

IUPAC4-hydroxy-6-methyl-3-[(1S)-1-(methylamino)ethyl]-1H-pyridin-2-one
SMILESCN[C@@H](C)c1c(O)cc(C)[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-5-4-7(12)8(6(2)10-3)9(13)11-5/h4,6,10H,1-3H3,(H2,11,12,13)/t6-/m0/s1
InChIKeyPIWDIOKMJUKATA-LURJTMIESA-N
MW182.22 g/mol
LogP0.67
Rot. Bonds2

About 4-hydroxy-6-methyl-3-[(1S)-1-(methylamino)ethyl]-1H-pyridin-2-one

4-hydroxy-6-methyl-3-[(1S)-1-(methylamino)ethyl]-1H-pyridin-2-one (PubChem CID 130631562) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-[(1S)-1-(methylamino)ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-[(1S)-1-(methylamino)ethyl]-1H-pyridin-2-one
PubChem CID130631562
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-hydroxy-6-methyl-3-[(1S)-1-(methylamino)ethyl]-1H-pyridin-2-one
SMILESCN[C@@H](C)c1c(O)cc(C)[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-5-4-7(12)8(6(2)10-3)9(13)11-5/h4,6,10H,1-3H3,(H2,11,12,13)/t6-/m0/s1
InChIKeyPIWDIOKMJUKATA-LURJTMIESA-N
XLogP0.67
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-6-methyl-3-[(1S)-1-(methylamino)ethyl]-1H-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 4-hydroxy-6-methyl-3-[(1S)-1-(methylamino)ethyl]-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-6-methyl-3-[(1S)-1-(methylamino)ethyl]-1H-pyridin-2-one (CID 130631562) is 4-hydroxy-6-methyl-3-[(1S)-1-(methylamino)ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-3-[(1S)-1-(methylamino)ethyl]-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-3-[(1S)-1-(methylamino)ethyl]-1H-pyridin-2-one is CN[C@@H](C)c1c(O)cc(C)[nH]c1=O.
What is the InChIKey of 4-hydroxy-6-methyl-3-[(1S)-1-(methylamino)ethyl]-1H-pyridin-2-one?
The InChIKey is PIWDIOKMJUKATA-LURJTMIESA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5-4-7(12)8(6(2)10-3)9(13)11-5/h4,6,10H,1-3H3,(H2,11,12,13)/t6-/m0/s1.
What are the key properties of 4-hydroxy-6-methyl-3-[(1S)-1-(methylamino)ethyl]-1H-pyridin-2-one?
4-hydroxy-6-methyl-3-[(1S)-1-(methylamino)ethyl]-1H-pyridin-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-3-[(1S)-1-(methylamino)ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 130631562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).