2,6-bis[(dimethylamino)methyl]-1H-pyridin-4-one

C11H19N3O — CID 122628202

IUPAC2,6-bis[(dimethylamino)methyl]-1H-pyridin-4-one
SMILESCN(C)Cc1cc(=O)cc(CN(C)C)[nH]1
InChIInChI=1S/C11H19N3O/c1-13(2)7-9-5-11(15)6-10(12-9)8-14(3)4/h5-6H,7-8H2,1-4H3,(H,12,15)
InChIKeyWMOKYLLQBRWEMT-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.50
Rot. Bonds4

About 2,6-bis[(dimethylamino)methyl]-1H-pyridin-4-one

2,6-bis[(dimethylamino)methyl]-1H-pyridin-4-one (PubChem CID 122628202) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2,6-bis[(dimethylamino)methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2,6-bis[(dimethylamino)methyl]-1H-pyridin-4-one
PubChem CID122628202
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2,6-bis[(dimethylamino)methyl]-1H-pyridin-4-one
SMILESCN(C)Cc1cc(=O)cc(CN(C)C)[nH]1
InChIInChI=1S/C11H19N3O/c1-13(2)7-9-5-11(15)6-10(12-9)8-14(3)4/h5-6H,7-8H2,1-4H3,(H,12,15)
InChIKeyWMOKYLLQBRWEMT-UHFFFAOYSA-N
XLogP0.50
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(dimethylamino)methyl]-1H-pyridin-4-one?
The IUPAC name of 2,6-bis[(dimethylamino)methyl]-1H-pyridin-4-one (CID 122628202) is 2,6-bis[(dimethylamino)methyl]-1H-pyridin-4-one.
What is the SMILES notation for 2,6-bis[(dimethylamino)methyl]-1H-pyridin-4-one?
The canonical SMILES for 2,6-bis[(dimethylamino)methyl]-1H-pyridin-4-one is CN(C)Cc1cc(=O)cc(CN(C)C)[nH]1.
What is the InChIKey of 2,6-bis[(dimethylamino)methyl]-1H-pyridin-4-one?
The InChIKey is WMOKYLLQBRWEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-13(2)7-9-5-11(15)6-10(12-9)8-14(3)4/h5-6H,7-8H2,1-4H3,(H,12,15).
What are the key properties of 2,6-bis[(dimethylamino)methyl]-1H-pyridin-4-one?
2,6-bis[(dimethylamino)methyl]-1H-pyridin-4-one has a molecular weight of 209.29 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(dimethylamino)methyl]-1H-pyridin-4-one is sourced from PubChem (CID 122628202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).