1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione

C12H14ClN3O2 — CID 79181278

IUPAC1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(Cc2nc(N)ccc2Cl)C(=O)C1C
InChIInChI=1S/C12H14ClN3O2/c1-6-7(2)12(18)16(11(6)17)5-9-8(13)3-4-10(14)15-9/h3-4,6-7H,5H2,1-2H3,(H2,14,15)
InChIKeyMNGMGMDDOKNXRW-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.46
Rot. Bonds2

About 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione

1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 79181278) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID79181278
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(Cc2nc(N)ccc2Cl)C(=O)C1C
InChIInChI=1S/C12H14ClN3O2/c1-6-7(2)12(18)16(11(6)17)5-9-8(13)3-4-10(14)15-9/h3-4,6-7H,5H2,1-2H3,(H2,14,15)
InChIKeyMNGMGMDDOKNXRW-UHFFFAOYSA-N
XLogP1.46
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3,4-dimethylpyrrolidine-2,5-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 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione (CID 79181278) is 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione is CC1C(=O)N(Cc2nc(N)ccc2Cl)C(=O)C1C.
What is the InChIKey of 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is MNGMGMDDOKNXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-6-7(2)12(18)16(11(6)17)5-9-8(13)3-4-10(14)15-9/h3-4,6-7H,5H2,1-2H3,(H2,14,15).
What are the key properties of 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 267.72 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 79181278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).