1-(dimethylamino)-4,5-dimethyl-3H-pyridine-2,6-dione

C9H14N2O2 — CID 90207977

IUPAC1-(dimethylamino)-4,5-dimethyl-3H-pyridine-2,6-dione
SMILESCC1=C(C)C(=O)N(N(C)C)C(=O)C1
InChIInChI=1S/C9H14N2O2/c1-6-5-8(12)11(10(3)4)9(13)7(6)2/h5H2,1-4H3
InChIKeyOHHZKXBYSHAGPG-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.56
Rot. Bonds1

About 1-(dimethylamino)-4,5-dimethyl-3H-pyridine-2,6-dione

1-(dimethylamino)-4,5-dimethyl-3H-pyridine-2,6-dione (PubChem CID 90207977) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(dimethylamino)-4,5-dimethyl-3H-pyridine-2,6-dione.

Molecular Properties

Compound Name1-(dimethylamino)-4,5-dimethyl-3H-pyridine-2,6-dione
PubChem CID90207977
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(dimethylamino)-4,5-dimethyl-3H-pyridine-2,6-dione
SMILESCC1=C(C)C(=O)N(N(C)C)C(=O)C1
InChIInChI=1S/C9H14N2O2/c1-6-5-8(12)11(10(3)4)9(13)7(6)2/h5H2,1-4H3
InChIKeyOHHZKXBYSHAGPG-UHFFFAOYSA-N
XLogP0.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-4,5-dimethyl-3H-pyridine-2,6-dione?
The IUPAC name of 1-(dimethylamino)-4,5-dimethyl-3H-pyridine-2,6-dione (CID 90207977) is 1-(dimethylamino)-4,5-dimethyl-3H-pyridine-2,6-dione.
What is the SMILES notation for 1-(dimethylamino)-4,5-dimethyl-3H-pyridine-2,6-dione?
The canonical SMILES for 1-(dimethylamino)-4,5-dimethyl-3H-pyridine-2,6-dione is CC1=C(C)C(=O)N(N(C)C)C(=O)C1.
What is the InChIKey of 1-(dimethylamino)-4,5-dimethyl-3H-pyridine-2,6-dione?
The InChIKey is OHHZKXBYSHAGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-5-8(12)11(10(3)4)9(13)7(6)2/h5H2,1-4H3.
What are the key properties of 1-(dimethylamino)-4,5-dimethyl-3H-pyridine-2,6-dione?
1-(dimethylamino)-4,5-dimethyl-3H-pyridine-2,6-dione has a molecular weight of 182.22 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-4,5-dimethyl-3H-pyridine-2,6-dione is sourced from PubChem (CID 90207977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).