2-[(dimethylamino)methyl]-5-hydroxy-1H-pyridin-4-one

C8H12N2O2 — CID 15077297

IUPAC2-[(dimethylamino)methyl]-5-hydroxy-1H-pyridin-4-one
SMILESCN(C)Cc1cc(=O)c(O)c[nH]1
InChIInChI=1S/C8H12N2O2/c1-10(2)5-6-3-7(11)8(12)4-9-6/h3-4,12H,5H2,1-2H3,(H,9,11)
InChIKeyPRJQAMMZMWIPLI-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.14
Rot. Bonds2

About 2-[(dimethylamino)methyl]-5-hydroxy-1H-pyridin-4-one

2-[(dimethylamino)methyl]-5-hydroxy-1H-pyridin-4-one (PubChem CID 15077297) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-5-hydroxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-5-hydroxy-1H-pyridin-4-one
PubChem CID15077297
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-[(dimethylamino)methyl]-5-hydroxy-1H-pyridin-4-one
SMILESCN(C)Cc1cc(=O)c(O)c[nH]1
InChIInChI=1S/C8H12N2O2/c1-10(2)5-6-3-7(11)8(12)4-9-6/h3-4,12H,5H2,1-2H3,(H,9,11)
InChIKeyPRJQAMMZMWIPLI-UHFFFAOYSA-N
XLogP0.14
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-5-hydroxy-1H-pyridin-4-one?
The IUPAC name of 2-[(dimethylamino)methyl]-5-hydroxy-1H-pyridin-4-one (CID 15077297) is 2-[(dimethylamino)methyl]-5-hydroxy-1H-pyridin-4-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-5-hydroxy-1H-pyridin-4-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-5-hydroxy-1H-pyridin-4-one is CN(C)Cc1cc(=O)c(O)c[nH]1.
What is the InChIKey of 2-[(dimethylamino)methyl]-5-hydroxy-1H-pyridin-4-one?
The InChIKey is PRJQAMMZMWIPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-10(2)5-6-3-7(11)8(12)4-9-6/h3-4,12H,5H2,1-2H3,(H,9,11).
What are the key properties of 2-[(dimethylamino)methyl]-5-hydroxy-1H-pyridin-4-one?
2-[(dimethylamino)methyl]-5-hydroxy-1H-pyridin-4-one has a molecular weight of 168.20 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-5-hydroxy-1H-pyridin-4-one is sourced from PubChem (CID 15077297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).