1-(5-amino-3-methyl-2-pyridinyl)-4,4-dimethylpiperidine-2,6-dione

C13H17N3O2 — CID 112555584

IUPAC1-(5-amino-3-methyl-2-pyridinyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCc1cc(N)cnc1N1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C13H17N3O2/c1-8-4-9(14)7-15-12(8)16-10(17)5-13(2,3)6-11(16)18/h4,7H,5-6,14H2,1-3H3
InChIKeyALHKDZZDWZNIII-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.65
Rot. Bonds1

About 1-(5-amino-3-methyl-2-pyridinyl)-4,4-dimethylpiperidine-2,6-dione

1-(5-amino-3-methyl-2-pyridinyl)-4,4-dimethylpiperidine-2,6-dione (PubChem CID 112555584) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(5-amino-3-methyl-2-pyridinyl)-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(5-amino-3-methyl-2-pyridinyl)-4,4-dimethylpiperidine-2,6-dione
PubChem CID112555584
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(5-amino-3-methyl-2-pyridinyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCc1cc(N)cnc1N1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C13H17N3O2/c1-8-4-9(14)7-15-12(8)16-10(17)5-13(2,3)6-11(16)18/h4,7H,5-6,14H2,1-3H3
InChIKeyALHKDZZDWZNIII-UHFFFAOYSA-N
XLogP1.65
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
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 1-(5-amino-3-methyl-2-pyridinyl)-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-(5-amino-3-methyl-2-pyridinyl)-4,4-dimethylpiperidine-2,6-dione (CID 112555584) is 1-(5-amino-3-methyl-2-pyridinyl)-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-(5-amino-3-methyl-2-pyridinyl)-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-(5-amino-3-methyl-2-pyridinyl)-4,4-dimethylpiperidine-2,6-dione is Cc1cc(N)cnc1N1C(=O)CC(C)(C)CC1=O.
What is the InChIKey of 1-(5-amino-3-methyl-2-pyridinyl)-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is ALHKDZZDWZNIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-4-9(14)7-15-12(8)16-10(17)5-13(2,3)6-11(16)18/h4,7H,5-6,14H2,1-3H3.
What are the key properties of 1-(5-amino-3-methyl-2-pyridinyl)-4,4-dimethylpiperidine-2,6-dione?
1-(5-amino-3-methyl-2-pyridinyl)-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 247.30 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-methyl-2-pyridinyl)-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 112555584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).