3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione

C12H15N3O3 — CID 62991848

IUPAC3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione
SMILESCOc1cc(CNC2CC(=O)N(C)C2=O)ccn1
InChIInChI=1S/C12H15N3O3/c1-15-11(16)6-9(12(15)17)14-7-8-3-4-13-10(5-8)18-2/h3-5,9,14H,6-7H2,1-2H3
InChIKeyUBFLXMCJUTXRLP-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.06
Rot. Bonds4

About 3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione

3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione (PubChem CID 62991848) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione
PubChem CID62991848
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione
SMILESCOc1cc(CNC2CC(=O)N(C)C2=O)ccn1
InChIInChI=1S/C12H15N3O3/c1-15-11(16)6-9(12(15)17)14-7-8-3-4-13-10(5-8)18-2/h3-5,9,14H,6-7H2,1-2H3
InChIKeyUBFLXMCJUTXRLP-UHFFFAOYSA-N
XLogP-0.06
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-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

Related Compounds

1-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 43635991
3-[(3-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 60872220
3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 2858584
3-[(2-methoxy-4-pyridinyl)methylamino]azepan-2-one
CID 62989736
3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
CID 104871414
5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]pyrrolidin-2-one
CID 107529441
1-methyl-3-[(3-methyl-4-pyridinyl)methylamino]pyrrolidine-2,5-dione
CID 114699422
1-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrrolidine-2,5-dione
CID 61375350
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81297831
N-[(2-methoxy-4-pyridinyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 81297222
4-[[[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
CID 742569
3-(2-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
CID 62991827

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione (CID 62991848) is 3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione is COc1cc(CNC2CC(=O)N(C)C2=O)ccn1.
What is the InChIKey of 3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is UBFLXMCJUTXRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-15-11(16)6-9(12(15)17)14-7-8-3-4-13-10(5-8)18-2/h3-5,9,14H,6-7H2,1-2H3.
What are the key properties of 3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione?
3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 249.27 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 62991848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).