3,3-dimethyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione

C12H16N4O2 — CID 113424129

IUPAC3,3-dimethyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione
SMILESCNc1cncc(N2CC(=O)NC(=O)C2(C)C)c1
InChIInChI=1S/C12H16N4O2/c1-12(2)11(18)15-10(17)7-16(12)9-4-8(13-3)5-14-6-9/h4-6,13H,7H2,1-3H3,(H,15,17,18)
InChIKeyMUHYHISKEPOXFI-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.36
Rot. Bonds2

About 3,3-dimethyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione

3,3-dimethyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione (PubChem CID 113424129) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3,3-dimethyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione
PubChem CID113424129
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3,3-dimethyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione
SMILESCNc1cncc(N2CC(=O)NC(=O)C2(C)C)c1
InChIInChI=1S/C12H16N4O2/c1-12(2)11(18)15-10(17)7-16(12)9-4-8(13-3)5-14-6-9/h4-6,13H,7H2,1-3H3,(H,15,17,18)
InChIKeyMUHYHISKEPOXFI-UHFFFAOYSA-N
XLogP0.36
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione (CID 113424129) is 3,3-dimethyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione is CNc1cncc(N2CC(=O)NC(=O)C2(C)C)c1.
What is the InChIKey of 3,3-dimethyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione?
The InChIKey is MUHYHISKEPOXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-12(2)11(18)15-10(17)7-16(12)9-4-8(13-3)5-14-6-9/h4-6,13H,7H2,1-3H3,(H,15,17,18).
What are the key properties of 3,3-dimethyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione?
3,3-dimethyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione has a molecular weight of 248.29 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione is sourced from PubChem (CID 113424129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).