5-hydroxy-2-[[methyl(pyridin-3-yl)amino]methyl]pyran-4-one

C12H12N2O3 — CID 130407803

IUPAC5-hydroxy-2-[[methyl(pyridin-3-yl)amino]methyl]pyran-4-one
SMILESCN(Cc1cc(=O)c(O)co1)c1cccnc1
InChIInChI=1S/C12H12N2O3/c1-14(9-3-2-4-13-6-9)7-10-5-11(15)12(16)8-17-10/h2-6,8,16H,7H2,1H3
InChIKeyUODMUYLNYQSTAW-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.38
Rot. Bonds3

About 5-hydroxy-2-[[methyl(pyridin-3-yl)amino]methyl]pyran-4-one

5-hydroxy-2-[[methyl(pyridin-3-yl)amino]methyl]pyran-4-one (PubChem CID 130407803) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-hydroxy-2-[[methyl(pyridin-3-yl)amino]methyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[[methyl(pyridin-3-yl)amino]methyl]pyran-4-one
PubChem CID130407803
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name5-hydroxy-2-[[methyl(pyridin-3-yl)amino]methyl]pyran-4-one
SMILESCN(Cc1cc(=O)c(O)co1)c1cccnc1
InChIInChI=1S/C12H12N2O3/c1-14(9-3-2-4-13-6-9)7-10-5-11(15)12(16)8-17-10/h2-6,8,16H,7H2,1H3
InChIKeyUODMUYLNYQSTAW-UHFFFAOYSA-N
XLogP1.38
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[methyl(pyridin-3-yl)amino]methyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[[methyl(pyridin-3-yl)amino]methyl]pyran-4-one (CID 130407803) is 5-hydroxy-2-[[methyl(pyridin-3-yl)amino]methyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[[methyl(pyridin-3-yl)amino]methyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[[methyl(pyridin-3-yl)amino]methyl]pyran-4-one is CN(Cc1cc(=O)c(O)co1)c1cccnc1.
What is the InChIKey of 5-hydroxy-2-[[methyl(pyridin-3-yl)amino]methyl]pyran-4-one?
The InChIKey is UODMUYLNYQSTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-14(9-3-2-4-13-6-9)7-10-5-11(15)12(16)8-17-10/h2-6,8,16H,7H2,1H3.
What are the key properties of 5-hydroxy-2-[[methyl(pyridin-3-yl)amino]methyl]pyran-4-one?
5-hydroxy-2-[[methyl(pyridin-3-yl)amino]methyl]pyran-4-one has a molecular weight of 232.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[methyl(pyridin-3-yl)amino]methyl]pyran-4-one is sourced from PubChem (CID 130407803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).