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

Related Compounds

1-(3-Chloropyridin-4-yl)piperazine
CID 11651319
N-(4-chlorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetamide
CID 3165618
1-[(6-Chloropyridin-3-yl)methyl]piperazine-2,3-dione
CID 71441372
1-{2-[(2-Chloropyridin-3-yl)amino]-2-oxoethyl}piperidine-4-carboxamide
CID 1511517
N'-(2-chloro-4-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 155532631
1-(3,5-dichloro-4-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 45274904
1-(3-Chloropyridin-4-yl)piperidine-4-carboxamide
CID 45275020
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
CID 155530691
1-[(2R)-2-acetamido-3-methylbutanoyl]-N-pyridin-4-ylpiperidine-4-carboxamide
CID 32027338
2-(6-Chloro-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-3-one
CID 44427098
3-chloro-1-(3-chloropyridin-4-yl)-4-(4-Methylpiperazin-1-yl)-1H-pyrrole-2,5-dione
CID 52943093
1-[1-(2-Chlorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-4-ylurea
CID 53597709

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).