6-hydroxy-4-methyl-1-[3-(methylamino)propyl]pyridin-2-one

C10H16N2O2 — CID 11275604

IUPAC6-hydroxy-4-methyl-1-[3-(methylamino)propyl]pyridin-2-one
SMILESCNCCCn1c(O)cc(C)cc1=O
InChIInChI=1S/C10H16N2O2/c1-8-6-9(13)12(10(14)7-8)5-3-4-11-2/h6-7,11,13H,3-5H2,1-2H3
InChIKeyBZGCMEUPQFGUPK-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.47
Rot. Bonds4

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

6-hydroxy-4-methyl-1-[3-(methylamino)propyl]pyridin-2-one (PubChem CID 11275604) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-1-[3-(methylamino)propyl]pyridin-2-one.

Molecular Properties

Compound Name6-hydroxy-4-methyl-1-[3-(methylamino)propyl]pyridin-2-one
PubChem CID11275604
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name6-hydroxy-4-methyl-1-[3-(methylamino)propyl]pyridin-2-one
SMILESCNCCCn1c(O)cc(C)cc1=O
InChIInChI=1S/C10H16N2O2/c1-8-6-9(13)12(10(14)7-8)5-3-4-11-2/h6-7,11,13H,3-5H2,1-2H3
InChIKeyBZGCMEUPQFGUPK-UHFFFAOYSA-N
XLogP0.47
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-hydroxy-4-methyl-1-[3-(methylamino)propyl]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 6-hydroxy-4-methyl-1-[3-(methylamino)propyl]pyridin-2-one?
The IUPAC name of 6-hydroxy-4-methyl-1-[3-(methylamino)propyl]pyridin-2-one (CID 11275604) is 6-hydroxy-4-methyl-1-[3-(methylamino)propyl]pyridin-2-one.
What is the SMILES notation for 6-hydroxy-4-methyl-1-[3-(methylamino)propyl]pyridin-2-one?
The canonical SMILES for 6-hydroxy-4-methyl-1-[3-(methylamino)propyl]pyridin-2-one is CNCCCn1c(O)cc(C)cc1=O.
What is the InChIKey of 6-hydroxy-4-methyl-1-[3-(methylamino)propyl]pyridin-2-one?
The InChIKey is BZGCMEUPQFGUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8-6-9(13)12(10(14)7-8)5-3-4-11-2/h6-7,11,13H,3-5H2,1-2H3.
What are the key properties of 6-hydroxy-4-methyl-1-[3-(methylamino)propyl]pyridin-2-one?
6-hydroxy-4-methyl-1-[3-(methylamino)propyl]pyridin-2-one has a molecular weight of 196.25 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methyl-1-[3-(methylamino)propyl]pyridin-2-one is sourced from PubChem (CID 11275604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).