3-[(3-methoxy-2-pyridinyl)amino]-1-methylpiperidine-2,6-dione

C12H15N3O3 — CID 113370978

IUPAC3-[(3-methoxy-2-pyridinyl)amino]-1-methylpiperidine-2,6-dione
SMILESCOc1cccnc1NC1CCC(=O)N(C)C1=O
InChIInChI=1S/C12H15N3O3/c1-15-10(16)6-5-8(12(15)17)14-11-9(18-2)4-3-7-13-11/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)
InChIKeyHMUVDGLASLYRFM-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.65
Rot. Bonds3

About 3-[(3-methoxy-2-pyridinyl)amino]-1-methylpiperidine-2,6-dione

3-[(3-methoxy-2-pyridinyl)amino]-1-methylpiperidine-2,6-dione (PubChem CID 113370978) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-[(3-methoxy-2-pyridinyl)amino]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[(3-methoxy-2-pyridinyl)amino]-1-methylpiperidine-2,6-dione
PubChem CID113370978
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-[(3-methoxy-2-pyridinyl)amino]-1-methylpiperidine-2,6-dione
SMILESCOc1cccnc1NC1CCC(=O)N(C)C1=O
InChIInChI=1S/C12H15N3O3/c1-15-10(16)6-5-8(12(15)17)14-11-9(18-2)4-3-7-13-11/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)
InChIKeyHMUVDGLASLYRFM-UHFFFAOYSA-N
XLogP0.65
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
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-[(3-methoxy-2-pyridinyl)amino]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[(3-methoxy-2-pyridinyl)amino]-1-methylpiperidine-2,6-dione (CID 113370978) is 3-[(3-methoxy-2-pyridinyl)amino]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[(3-methoxy-2-pyridinyl)amino]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[(3-methoxy-2-pyridinyl)amino]-1-methylpiperidine-2,6-dione is COc1cccnc1NC1CCC(=O)N(C)C1=O.
What is the InChIKey of 3-[(3-methoxy-2-pyridinyl)amino]-1-methylpiperidine-2,6-dione?
The InChIKey is HMUVDGLASLYRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-15-10(16)6-5-8(12(15)17)14-11-9(18-2)4-3-7-13-11/h3-4,7-8H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 3-[(3-methoxy-2-pyridinyl)amino]-1-methylpiperidine-2,6-dione?
3-[(3-methoxy-2-pyridinyl)amino]-1-methylpiperidine-2,6-dione has a molecular weight of 249.27 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-2-pyridinyl)amino]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 113370978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).