3,3-dimethyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione

C13H16N4O3 — CID 81245242

IUPAC3,3-dimethyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione
SMILESCNc1ccncc1C(=O)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C13H16N4O3/c1-13(2)12(20)16-10(18)7-17(13)11(19)8-6-15-5-4-9(8)14-3/h4-6H,7H2,1-3H3,(H,14,15)(H,16,18,20)
InChIKeySTKLJBJXNZKBPY-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.00
Rot. Bonds2

About 3,3-dimethyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione

3,3-dimethyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione (PubChem CID 81245242) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3,3-dimethyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione
PubChem CID81245242
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name3,3-dimethyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione
SMILESCNc1ccncc1C(=O)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C13H16N4O3/c1-13(2)12(20)16-10(18)7-17(13)11(19)8-6-15-5-4-9(8)14-3/h4-6H,7H2,1-3H3,(H,14,15)(H,16,18,20)
InChIKeySTKLJBJXNZKBPY-UHFFFAOYSA-N
XLogP0.00
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.00
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-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione (CID 81245242) is 3,3-dimethyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione is CNc1ccncc1C(=O)N1CC(=O)NC(=O)C1(C)C.
What is the InChIKey of 3,3-dimethyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione?
The InChIKey is STKLJBJXNZKBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-13(2)12(20)16-10(18)7-17(13)11(19)8-6-15-5-4-9(8)14-3/h4-6H,7H2,1-3H3,(H,14,15)(H,16,18,20).
What are the key properties of 3,3-dimethyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione?
3,3-dimethyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione has a molecular weight of 276.30 g/mol, XLogP of 0.00, 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-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione is sourced from PubChem (CID 81245242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).