3-amino-4-(dimethylamino)-6-methyl-1-(2-methylpropyl)pyridin-2-one

C12H21N3O — CID 39334454

IUPAC3-amino-4-(dimethylamino)-6-methyl-1-(2-methylpropyl)pyridin-2-one
SMILESCc1cc(N(C)C)c(N)c(=O)n1CC(C)C
InChIInChI=1S/C12H21N3O/c1-8(2)7-15-9(3)6-10(14(4)5)11(13)12(15)16/h6,8H,7,13H2,1-5H3
InChIKeySTOFMOASICLEBY-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.46
Rot. Bonds3

About 3-amino-4-(dimethylamino)-6-methyl-1-(2-methylpropyl)pyridin-2-one

3-amino-4-(dimethylamino)-6-methyl-1-(2-methylpropyl)pyridin-2-one (PubChem CID 39334454) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-6-methyl-1-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-6-methyl-1-(2-methylpropyl)pyridin-2-one
PubChem CID39334454
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-amino-4-(dimethylamino)-6-methyl-1-(2-methylpropyl)pyridin-2-one
SMILESCc1cc(N(C)C)c(N)c(=O)n1CC(C)C
InChIInChI=1S/C12H21N3O/c1-8(2)7-15-9(3)6-10(14(4)5)11(13)12(15)16/h6,8H,7,13H2,1-5H3
InChIKeySTOFMOASICLEBY-UHFFFAOYSA-N
XLogP1.46
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-6-methyl-1-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 3-amino-4-(dimethylamino)-6-methyl-1-(2-methylpropyl)pyridin-2-one (CID 39334454) is 3-amino-4-(dimethylamino)-6-methyl-1-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 3-amino-4-(dimethylamino)-6-methyl-1-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 3-amino-4-(dimethylamino)-6-methyl-1-(2-methylpropyl)pyridin-2-one is Cc1cc(N(C)C)c(N)c(=O)n1CC(C)C.
What is the InChIKey of 3-amino-4-(dimethylamino)-6-methyl-1-(2-methylpropyl)pyridin-2-one?
The InChIKey is STOFMOASICLEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)7-15-9(3)6-10(14(4)5)11(13)12(15)16/h6,8H,7,13H2,1-5H3.
What are the key properties of 3-amino-4-(dimethylamino)-6-methyl-1-(2-methylpropyl)pyridin-2-one?
3-amino-4-(dimethylamino)-6-methyl-1-(2-methylpropyl)pyridin-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-6-methyl-1-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 39334454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).