4-[5-(aminomethyl)-2-pyridinyl]piperazine-2,6-dione

C10H12N4O2 — CID 66085232

IUPAC4-[5-(aminomethyl)-2-pyridinyl]piperazine-2,6-dione
SMILESNCc1ccc(N2CC(=O)NC(=O)C2)nc1
InChIInChI=1S/C10H12N4O2/c11-3-7-1-2-8(12-4-7)14-5-9(15)13-10(16)6-14/h1-2,4H,3,5-6,11H2,(H,13,15,16)
InChIKeyYEOUTBOJAUETBQ-UHFFFAOYSA-N
MW220.23 g/mol
LogP-1.00
Rot. Bonds2

About 4-[5-(aminomethyl)-2-pyridinyl]piperazine-2,6-dione

4-[5-(aminomethyl)-2-pyridinyl]piperazine-2,6-dione (PubChem CID 66085232) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-[5-(aminomethyl)-2-pyridinyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[5-(aminomethyl)-2-pyridinyl]piperazine-2,6-dione
PubChem CID66085232
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name4-[5-(aminomethyl)-2-pyridinyl]piperazine-2,6-dione
SMILESNCc1ccc(N2CC(=O)NC(=O)C2)nc1
InChIInChI=1S/C10H12N4O2/c11-3-7-1-2-8(12-4-7)14-5-9(15)13-10(16)6-14/h1-2,4H,3,5-6,11H2,(H,13,15,16)
InChIKeyYEOUTBOJAUETBQ-UHFFFAOYSA-N
XLogP-1.00
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[5-(aminomethyl)-2-pyridinyl]piperazine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)-2-pyridinyl]piperazine-2,6-dione?
The IUPAC name of 4-[5-(aminomethyl)-2-pyridinyl]piperazine-2,6-dione (CID 66085232) is 4-[5-(aminomethyl)-2-pyridinyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[5-(aminomethyl)-2-pyridinyl]piperazine-2,6-dione?
The canonical SMILES for 4-[5-(aminomethyl)-2-pyridinyl]piperazine-2,6-dione is NCc1ccc(N2CC(=O)NC(=O)C2)nc1.
What is the InChIKey of 4-[5-(aminomethyl)-2-pyridinyl]piperazine-2,6-dione?
The InChIKey is YEOUTBOJAUETBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-3-7-1-2-8(12-4-7)14-5-9(15)13-10(16)6-14/h1-2,4H,3,5-6,11H2,(H,13,15,16).
What are the key properties of 4-[5-(aminomethyl)-2-pyridinyl]piperazine-2,6-dione?
4-[5-(aminomethyl)-2-pyridinyl]piperazine-2,6-dione has a molecular weight of 220.23 g/mol, XLogP of -1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)-2-pyridinyl]piperazine-2,6-dione is sourced from PubChem (CID 66085232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).