1-methyl-3-[(3-methyl-4-pyridinyl)methylamino]pyrrolidine-2,5-dione

C12H15N3O2 — CID 114699422

IUPAC1-methyl-3-[(3-methyl-4-pyridinyl)methylamino]pyrrolidine-2,5-dione
SMILESCc1cnccc1CNC1CC(=O)N(C)C1=O
InChIInChI=1S/C12H15N3O2/c1-8-6-13-4-3-9(8)7-14-10-5-11(16)15(2)12(10)17/h3-4,6,10,14H,5,7H2,1-2H3
InChIKeyBLWQSBIJFCDHHR-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.24
Rot. Bonds3

About 1-methyl-3-[(3-methyl-4-pyridinyl)methylamino]pyrrolidine-2,5-dione

1-methyl-3-[(3-methyl-4-pyridinyl)methylamino]pyrrolidine-2,5-dione (PubChem CID 114699422) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-methyl-3-[(3-methyl-4-pyridinyl)methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-[(3-methyl-4-pyridinyl)methylamino]pyrrolidine-2,5-dione
PubChem CID114699422
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-methyl-3-[(3-methyl-4-pyridinyl)methylamino]pyrrolidine-2,5-dione
SMILESCc1cnccc1CNC1CC(=O)N(C)C1=O
InChIInChI=1S/C12H15N3O2/c1-8-6-13-4-3-9(8)7-14-10-5-11(16)15(2)12(10)17/h3-4,6,10,14H,5,7H2,1-2H3
InChIKeyBLWQSBIJFCDHHR-UHFFFAOYSA-N
XLogP0.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 43635991
3-methyl-4-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]benzamide
CID 114480476
1-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrrolidine-2,5-dione
CID 61375350
3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 62991848
1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidine-2,5-dione
CID 81170451
3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 2858584
1-methyl-N-[(3-methyl-4-pyridinyl)methyl]piperidin-3-amine
CID 114699054
3-[(2-fluoro-3-nitrophenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 107349256
3-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]cyclobutan-1-amine
CID 114698616
3-[(3-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 60872220
N-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine
CID 114698974
1-methyl-3-[[(1R)-1-pyridin-4-ylethyl]amino]pyrrolidine-2,5-dione
CID 107358038

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-methyl-4-pyridinyl)methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-[(3-methyl-4-pyridinyl)methylamino]pyrrolidine-2,5-dione (CID 114699422) is 1-methyl-3-[(3-methyl-4-pyridinyl)methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-[(3-methyl-4-pyridinyl)methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-[(3-methyl-4-pyridinyl)methylamino]pyrrolidine-2,5-dione is Cc1cnccc1CNC1CC(=O)N(C)C1=O.
What is the InChIKey of 1-methyl-3-[(3-methyl-4-pyridinyl)methylamino]pyrrolidine-2,5-dione?
The InChIKey is BLWQSBIJFCDHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-6-13-4-3-9(8)7-14-10-5-11(16)15(2)12(10)17/h3-4,6,10,14H,5,7H2,1-2H3.
What are the key properties of 1-methyl-3-[(3-methyl-4-pyridinyl)methylamino]pyrrolidine-2,5-dione?
1-methyl-3-[(3-methyl-4-pyridinyl)methylamino]pyrrolidine-2,5-dione has a molecular weight of 233.27 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-methyl-4-pyridinyl)methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 114699422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).