3-[(3-chloro-4-pyridinyl)amino]-1-methylpiperidine-2,6-dione

C11H12ClN3O2 — CID 79840717

IUPAC3-[(3-chloro-4-pyridinyl)amino]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(Nc2ccncc2Cl)C1=O
InChIInChI=1S/C11H12ClN3O2/c1-15-10(16)3-2-9(11(15)17)14-8-4-5-13-6-7(8)12/h4-6,9H,2-3H2,1H3,(H,13,14)
InChIKeyXTCYSYTWFXVZML-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.29
Rot. Bonds2

About 3-[(3-chloro-4-pyridinyl)amino]-1-methylpiperidine-2,6-dione

3-[(3-chloro-4-pyridinyl)amino]-1-methylpiperidine-2,6-dione (PubChem CID 79840717) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 3-[(3-chloro-4-pyridinyl)amino]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[(3-chloro-4-pyridinyl)amino]-1-methylpiperidine-2,6-dione
PubChem CID79840717
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name3-[(3-chloro-4-pyridinyl)amino]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(Nc2ccncc2Cl)C1=O
InChIInChI=1S/C11H12ClN3O2/c1-15-10(16)3-2-9(11(15)17)14-8-4-5-13-6-7(8)12/h4-6,9H,2-3H2,1H3,(H,13,14)
InChIKeyXTCYSYTWFXVZML-UHFFFAOYSA-N
XLogP1.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(3-chloro-4-pyridinyl)amino]-1-methylpiperidine-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 3-[(3-chloro-4-pyridinyl)amino]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[(3-chloro-4-pyridinyl)amino]-1-methylpiperidine-2,6-dione (CID 79840717) is 3-[(3-chloro-4-pyridinyl)amino]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[(3-chloro-4-pyridinyl)amino]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[(3-chloro-4-pyridinyl)amino]-1-methylpiperidine-2,6-dione is CN1C(=O)CCC(Nc2ccncc2Cl)C1=O.
What is the InChIKey of 3-[(3-chloro-4-pyridinyl)amino]-1-methylpiperidine-2,6-dione?
The InChIKey is XTCYSYTWFXVZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-15-10(16)3-2-9(11(15)17)14-8-4-5-13-6-7(8)12/h4-6,9H,2-3H2,1H3,(H,13,14).
What are the key properties of 3-[(3-chloro-4-pyridinyl)amino]-1-methylpiperidine-2,6-dione?
3-[(3-chloro-4-pyridinyl)amino]-1-methylpiperidine-2,6-dione has a molecular weight of 253.69 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-pyridinyl)amino]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 79840717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).