3-(6-amino-3-pyridinyl)-3-methylpiperidine-2,6-dione

C11H13N3O2 — CID 166552758

IUPAC3-(6-amino-3-pyridinyl)-3-methylpiperidine-2,6-dione
SMILESCC1(c2ccc(N)nc2)CCC(=O)NC1=O
InChIInChI=1S/C11H13N3O2/c1-11(5-4-9(15)14-10(11)16)7-2-3-8(12)13-6-7/h2-3,6H,4-5H2,1H3,(H2,12,13)(H,14,15,16)
InChIKeyQFOHYFLROHTPKV-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.36
Rot. Bonds1

About 3-(6-amino-3-pyridinyl)-3-methylpiperidine-2,6-dione

3-(6-amino-3-pyridinyl)-3-methylpiperidine-2,6-dione (PubChem CID 166552758) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(6-amino-3-pyridinyl)-3-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-amino-3-pyridinyl)-3-methylpiperidine-2,6-dione
PubChem CID166552758
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-(6-amino-3-pyridinyl)-3-methylpiperidine-2,6-dione
SMILESCC1(c2ccc(N)nc2)CCC(=O)NC1=O
InChIInChI=1S/C11H13N3O2/c1-11(5-4-9(15)14-10(11)16)7-2-3-8(12)13-6-7/h2-3,6H,4-5H2,1H3,(H2,12,13)(H,14,15,16)
InChIKeyQFOHYFLROHTPKV-UHFFFAOYSA-N
XLogP0.36
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(6-amino-3-pyridinyl)-3-methylpiperidine-2,6-dione?
The IUPAC name of 3-(6-amino-3-pyridinyl)-3-methylpiperidine-2,6-dione (CID 166552758) is 3-(6-amino-3-pyridinyl)-3-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-(6-amino-3-pyridinyl)-3-methylpiperidine-2,6-dione?
The canonical SMILES for 3-(6-amino-3-pyridinyl)-3-methylpiperidine-2,6-dione is CC1(c2ccc(N)nc2)CCC(=O)NC1=O.
What is the InChIKey of 3-(6-amino-3-pyridinyl)-3-methylpiperidine-2,6-dione?
The InChIKey is QFOHYFLROHTPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-11(5-4-9(15)14-10(11)16)7-2-3-8(12)13-6-7/h2-3,6H,4-5H2,1H3,(H2,12,13)(H,14,15,16).
What are the key properties of 3-(6-amino-3-pyridinyl)-3-methylpiperidine-2,6-dione?
3-(6-amino-3-pyridinyl)-3-methylpiperidine-2,6-dione has a molecular weight of 219.24 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3-pyridinyl)-3-methylpiperidine-2,6-dione is sourced from PubChem (CID 166552758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).