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

C15H26N2O2 — CID 90207973

IUPAC1-(dibutylamino)-4,5-dimethyl-3H-pyridine-2,6-dione
SMILESCCCCN(CCCC)N1C(=O)CC(C)=C(C)C1=O
InChIInChI=1S/C15H26N2O2/c1-5-7-9-16(10-8-6-2)17-14(18)11-12(3)13(4)15(17)19/h5-11H2,1-4H3
InChIKeyKARWFJBMOQVRER-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.90
Rot. Bonds7

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

1-(dibutylamino)-4,5-dimethyl-3H-pyridine-2,6-dione (PubChem CID 90207973) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(dibutylamino)-4,5-dimethyl-3H-pyridine-2,6-dione.

Molecular Properties

Compound Name1-(dibutylamino)-4,5-dimethyl-3H-pyridine-2,6-dione
PubChem CID90207973
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(dibutylamino)-4,5-dimethyl-3H-pyridine-2,6-dione
SMILESCCCCN(CCCC)N1C(=O)CC(C)=C(C)C1=O
InChIInChI=1S/C15H26N2O2/c1-5-7-9-16(10-8-6-2)17-14(18)11-12(3)13(4)15(17)19/h5-11H2,1-4H3
InChIKeyKARWFJBMOQVRER-UHFFFAOYSA-N
XLogP2.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.90
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-(dibutylamino)-4,5-dimethyl-3H-pyridine-2,6-dione?
The IUPAC name of 1-(dibutylamino)-4,5-dimethyl-3H-pyridine-2,6-dione (CID 90207973) is 1-(dibutylamino)-4,5-dimethyl-3H-pyridine-2,6-dione.
What is the SMILES notation for 1-(dibutylamino)-4,5-dimethyl-3H-pyridine-2,6-dione?
The canonical SMILES for 1-(dibutylamino)-4,5-dimethyl-3H-pyridine-2,6-dione is CCCCN(CCCC)N1C(=O)CC(C)=C(C)C1=O.
What is the InChIKey of 1-(dibutylamino)-4,5-dimethyl-3H-pyridine-2,6-dione?
The InChIKey is KARWFJBMOQVRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-7-9-16(10-8-6-2)17-14(18)11-12(3)13(4)15(17)19/h5-11H2,1-4H3.
What are the key properties of 1-(dibutylamino)-4,5-dimethyl-3H-pyridine-2,6-dione?
1-(dibutylamino)-4,5-dimethyl-3H-pyridine-2,6-dione has a molecular weight of 266.38 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibutylamino)-4,5-dimethyl-3H-pyridine-2,6-dione is sourced from PubChem (CID 90207973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).