3-[(2-amino-3-pyridinyl)amino]piperidine-2,6-dione

C10H12N4O2 — CID 104540520

IUPAC3-[(2-amino-3-pyridinyl)amino]piperidine-2,6-dione
SMILESNc1ncccc1NC1CCC(=O)NC1=O
InChIInChI=1S/C10H12N4O2/c11-9-6(2-1-5-12-9)13-7-3-4-8(15)14-10(7)16/h1-2,5,7,13H,3-4H2,(H2,11,12)(H,14,15,16)
InChIKeyAYUDCGCRDPRDNG-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.12
Rot. Bonds2

About 3-[(2-amino-3-pyridinyl)amino]piperidine-2,6-dione

3-[(2-amino-3-pyridinyl)amino]piperidine-2,6-dione (PubChem CID 104540520) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-[(2-amino-3-pyridinyl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(2-amino-3-pyridinyl)amino]piperidine-2,6-dione
PubChem CID104540520
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name3-[(2-amino-3-pyridinyl)amino]piperidine-2,6-dione
SMILESNc1ncccc1NC1CCC(=O)NC1=O
InChIInChI=1S/C10H12N4O2/c11-9-6(2-1-5-12-9)13-7-3-4-8(15)14-10(7)16/h1-2,5,7,13H,3-4H2,(H2,11,12)(H,14,15,16)
InChIKeyAYUDCGCRDPRDNG-UHFFFAOYSA-N
XLogP-0.12
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
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-[(2-amino-3-pyridinyl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(2-amino-3-pyridinyl)amino]piperidine-2,6-dione (CID 104540520) is 3-[(2-amino-3-pyridinyl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(2-amino-3-pyridinyl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(2-amino-3-pyridinyl)amino]piperidine-2,6-dione is Nc1ncccc1NC1CCC(=O)NC1=O.
What is the InChIKey of 3-[(2-amino-3-pyridinyl)amino]piperidine-2,6-dione?
The InChIKey is AYUDCGCRDPRDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-9-6(2-1-5-12-9)13-7-3-4-8(15)14-10(7)16/h1-2,5,7,13H,3-4H2,(H2,11,12)(H,14,15,16).
What are the key properties of 3-[(2-amino-3-pyridinyl)amino]piperidine-2,6-dione?
3-[(2-amino-3-pyridinyl)amino]piperidine-2,6-dione has a molecular weight of 220.23 g/mol, XLogP of -0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3-pyridinyl)amino]piperidine-2,6-dione is sourced from PubChem (CID 104540520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).