1-methyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]pyrrolidine-2,5-dione

C12H15N3O2 — CID 107358036

IUPAC1-methyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]pyrrolidine-2,5-dione
SMILESC[C@H](NC1CC(=O)N(C)C1=O)c1cccnc1
InChIInChI=1S/C12H15N3O2/c1-8(9-4-3-5-13-7-9)14-10-6-11(16)15(2)12(10)17/h3-5,7-8,10,14H,6H2,1-2H3/t8-,10?/m0/s1
InChIKeyNSEDDKQZXQIIDI-PEHGTWAWSA-N
MW233.27 g/mol
LogP0.49
Rot. Bonds3

About 1-methyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]pyrrolidine-2,5-dione

1-methyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]pyrrolidine-2,5-dione (PubChem CID 107358036) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-methyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]pyrrolidine-2,5-dione
PubChem CID107358036
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-methyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]pyrrolidine-2,5-dione
SMILESC[C@H](NC1CC(=O)N(C)C1=O)c1cccnc1
InChIInChI=1S/C12H15N3O2/c1-8(9-4-3-5-13-7-9)14-10-6-11(16)15(2)12(10)17/h3-5,7-8,10,14H,6H2,1-2H3/t8-,10?/m0/s1
InChIKeyNSEDDKQZXQIIDI-PEHGTWAWSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]pyrrolidine-2,5-dione with MolForge

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Related Compounds

1-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]-3,4-dihydroquinolin-2-one
CID 81392821
1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione
CID 43636029
1-methyl-3-[[(1R)-1-pyridin-4-ylethyl]amino]pyrrolidine-2,5-dione
CID 107358038
(3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione
CID 7377821
1-cyclopentyl-3-(1-pyridin-3-ylethylamino)pyrrolidine-2,5-dione
CID 43637589
3-[1-(3-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione
CID 54964613
3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione
CID 107358017
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone
CID 78950814
3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione
CID 107358021
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione
CID 107358023
N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine
CID 81406806

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]pyrrolidine-2,5-dione (CID 107358036) is 1-methyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]pyrrolidine-2,5-dione is C[C@H](NC1CC(=O)N(C)C1=O)c1cccnc1.
What is the InChIKey of 1-methyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]pyrrolidine-2,5-dione?
The InChIKey is NSEDDKQZXQIIDI-PEHGTWAWSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(9-4-3-5-13-7-9)14-10-6-11(16)15(2)12(10)17/h3-5,7-8,10,14H,6H2,1-2H3/t8-,10?/m0/s1.
What are the key properties of 1-methyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]pyrrolidine-2,5-dione?
1-methyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]pyrrolidine-2,5-dione has a molecular weight of 233.27 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 107358036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).