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

C9H14N2O — CID 176992192

IUPAC2-methyl-6-[1-(methylamino)ethyl]-1H-pyridin-4-one
SMILESCNC(C)c1cc(=O)cc(C)[nH]1
InChIInChI=1S/C9H14N2O/c1-6-4-8(12)5-9(11-6)7(2)10-3/h4-5,7,10H,1-3H3,(H,11,12)
InChIKeyZWZWWTQXWXGNCK-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.96
Rot. Bonds2

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

2-methyl-6-[1-(methylamino)ethyl]-1H-pyridin-4-one (PubChem CID 176992192) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methyl-6-[1-(methylamino)ethyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-6-[1-(methylamino)ethyl]-1H-pyridin-4-one
PubChem CID176992192
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-methyl-6-[1-(methylamino)ethyl]-1H-pyridin-4-one
SMILESCNC(C)c1cc(=O)cc(C)[nH]1
InChIInChI=1S/C9H14N2O/c1-6-4-8(12)5-9(11-6)7(2)10-3/h4-5,7,10H,1-3H3,(H,11,12)
InChIKeyZWZWWTQXWXGNCK-UHFFFAOYSA-N
XLogP0.96
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[1-(methylamino)ethyl]-1H-pyridin-4-one?
The IUPAC name of 2-methyl-6-[1-(methylamino)ethyl]-1H-pyridin-4-one (CID 176992192) is 2-methyl-6-[1-(methylamino)ethyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-6-[1-(methylamino)ethyl]-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-6-[1-(methylamino)ethyl]-1H-pyridin-4-one is CNC(C)c1cc(=O)cc(C)[nH]1.
What is the InChIKey of 2-methyl-6-[1-(methylamino)ethyl]-1H-pyridin-4-one?
The InChIKey is ZWZWWTQXWXGNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-4-8(12)5-9(11-6)7(2)10-3/h4-5,7,10H,1-3H3,(H,11,12).
What are the key properties of 2-methyl-6-[1-(methylamino)ethyl]-1H-pyridin-4-one?
2-methyl-6-[1-(methylamino)ethyl]-1H-pyridin-4-one has a molecular weight of 166.22 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[1-(methylamino)ethyl]-1H-pyridin-4-one is sourced from PubChem (CID 176992192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).