3,3-dimethyl-1-[3-(pyridin-3-ylmethylamino)propyl]pyrrolidine-2,5-dione

C15H21N3O2 — CID 65297533

IUPAC3,3-dimethyl-1-[3-(pyridin-3-ylmethylamino)propyl]pyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(CCCNCc2cccnc2)C1=O
InChIInChI=1S/C15H21N3O2/c1-15(2)9-13(19)18(14(15)20)8-4-7-17-11-12-5-3-6-16-10-12/h3,5-6,10,17H,4,7-9,11H2,1-2H3
InChIKeyJMLYVHWMCXRMNZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.35
Rot. Bonds6

About 3,3-dimethyl-1-[3-(pyridin-3-ylmethylamino)propyl]pyrrolidine-2,5-dione

3,3-dimethyl-1-[3-(pyridin-3-ylmethylamino)propyl]pyrrolidine-2,5-dione (PubChem CID 65297533) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3,3-dimethyl-1-[3-(pyridin-3-ylmethylamino)propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[3-(pyridin-3-ylmethylamino)propyl]pyrrolidine-2,5-dione
PubChem CID65297533
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3,3-dimethyl-1-[3-(pyridin-3-ylmethylamino)propyl]pyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(CCCNCc2cccnc2)C1=O
InChIInChI=1S/C15H21N3O2/c1-15(2)9-13(19)18(14(15)20)8-4-7-17-11-12-5-3-6-16-10-12/h3,5-6,10,17H,4,7-9,11H2,1-2H3
InChIKeyJMLYVHWMCXRMNZ-UHFFFAOYSA-N
XLogP1.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
1-methyl-4-[2-(pyridin-3-ylmethylamino)ethyl]pyrazine-2,3-dione
CID 55155475
3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine;oxalic acid
CID 17052847
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61350746
2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide
CID 104872228
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176
3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 28671888
3-[[3-(sulfamoylamino)propylamino]methyl]pyridine
CID 114959317
4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
CID 106844346
1-[2-(pyridin-3-ylmethylamino)ethyl]pyrimidin-2-one
CID 62563638
N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide
CID 43605828
2-(pyridin-3-ylmethylamino)ethanethiol;3-(pyridin-3-ylmethylamino)propane-1-thiol
CID 160887508

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[3-(pyridin-3-ylmethylamino)propyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[3-(pyridin-3-ylmethylamino)propyl]pyrrolidine-2,5-dione (CID 65297533) is 3,3-dimethyl-1-[3-(pyridin-3-ylmethylamino)propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[3-(pyridin-3-ylmethylamino)propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[3-(pyridin-3-ylmethylamino)propyl]pyrrolidine-2,5-dione is CC1(C)CC(=O)N(CCCNCc2cccnc2)C1=O.
What is the InChIKey of 3,3-dimethyl-1-[3-(pyridin-3-ylmethylamino)propyl]pyrrolidine-2,5-dione?
The InChIKey is JMLYVHWMCXRMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2)9-13(19)18(14(15)20)8-4-7-17-11-12-5-3-6-16-10-12/h3,5-6,10,17H,4,7-9,11H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-[3-(pyridin-3-ylmethylamino)propyl]pyrrolidine-2,5-dione?
3,3-dimethyl-1-[3-(pyridin-3-ylmethylamino)propyl]pyrrolidine-2,5-dione has a molecular weight of 275.35 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[3-(pyridin-3-ylmethylamino)propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 65297533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).