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

C11H14N4O2 — CID 66085785

IUPAC4-[[6-(methylamino)-3-pyridinyl]methyl]piperazine-2,6-dione
SMILESCNc1ccc(CN2CC(=O)NC(=O)C2)cn1
InChIInChI=1S/C11H14N4O2/c1-12-9-3-2-8(4-13-9)5-15-6-10(16)14-11(17)7-15/h2-4H,5-7H2,1H3,(H,12,13)(H,14,16,17)
InChIKeyVHCHEPUFZVGYIR-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.42
Rot. Bonds3

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

4-[[6-(methylamino)-3-pyridinyl]methyl]piperazine-2,6-dione (PubChem CID 66085785) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-[[6-(methylamino)-3-pyridinyl]methyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[[6-(methylamino)-3-pyridinyl]methyl]piperazine-2,6-dione
PubChem CID66085785
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name4-[[6-(methylamino)-3-pyridinyl]methyl]piperazine-2,6-dione
SMILESCNc1ccc(CN2CC(=O)NC(=O)C2)cn1
InChIInChI=1S/C11H14N4O2/c1-12-9-3-2-8(4-13-9)5-15-6-10(16)14-11(17)7-15/h2-4H,5-7H2,1H3,(H,12,13)(H,14,16,17)
InChIKeyVHCHEPUFZVGYIR-UHFFFAOYSA-N
XLogP-0.42
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.42
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 4-[[6-(methylamino)-3-pyridinyl]methyl]piperazine-2,6-dione?
The IUPAC name of 4-[[6-(methylamino)-3-pyridinyl]methyl]piperazine-2,6-dione (CID 66085785) is 4-[[6-(methylamino)-3-pyridinyl]methyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[[6-(methylamino)-3-pyridinyl]methyl]piperazine-2,6-dione?
The canonical SMILES for 4-[[6-(methylamino)-3-pyridinyl]methyl]piperazine-2,6-dione is CNc1ccc(CN2CC(=O)NC(=O)C2)cn1.
What is the InChIKey of 4-[[6-(methylamino)-3-pyridinyl]methyl]piperazine-2,6-dione?
The InChIKey is VHCHEPUFZVGYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-12-9-3-2-8(4-13-9)5-15-6-10(16)14-11(17)7-15/h2-4H,5-7H2,1H3,(H,12,13)(H,14,16,17).
What are the key properties of 4-[[6-(methylamino)-3-pyridinyl]methyl]piperazine-2,6-dione?
4-[[6-(methylamino)-3-pyridinyl]methyl]piperazine-2,6-dione has a molecular weight of 234.26 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(methylamino)-3-pyridinyl]methyl]piperazine-2,6-dione is sourced from PubChem (CID 66085785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).