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

C15H21N3O2 — CID 79181550

IUPAC3,4-dimethyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione
SMILESCCCNc1ncccc1CN1C(=O)C(C)C(C)C1=O
InChIInChI=1S/C15H21N3O2/c1-4-7-16-13-12(6-5-8-17-13)9-18-14(19)10(2)11(3)15(18)20/h5-6,8,10-11H,4,7,9H2,1-3H3,(H,16,17)
InChIKeyCUSHHIQFMCVFML-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.04
Rot. Bonds5

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

3,4-dimethyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione (PubChem CID 79181550) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3,4-dimethyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione
PubChem CID79181550
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3,4-dimethyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione
SMILESCCCNc1ncccc1CN1C(=O)C(C)C(C)C1=O
InChIInChI=1S/C15H21N3O2/c1-4-7-16-13-12(6-5-8-17-13)9-18-14(19)10(2)11(3)15(18)20/h5-6,8,10-11H,4,7,9H2,1-3H3,(H,16,17)
InChIKeyCUSHHIQFMCVFML-UHFFFAOYSA-N
XLogP2.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.04
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-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione
CID 55075292
1-[[2-(propylamino)-3-pyridinyl]methyl]pyridin-4-one
CID 62880693
3-[(4-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470200
4-methyl-3-[[2-(propylamino)-3-pyridinyl]methyl]-1,3-thiazol-2-one
CID 62464559
4-propyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-2-one
CID 104512672
N-propyl-3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470751
3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 55075699
1-methyl-4-[[2-(propylamino)-3-pyridinyl]methyl]pyrazine-2,3-dione
CID 62927533
1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 62470561
1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-2-one
CID 55075717
3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62469718
3-[(4-methylpyrazol-1-yl)methyl]-N-propylpyridin-2-amine
CID 55075387

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione (CID 79181550) is 3,4-dimethyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione is CCCNc1ncccc1CN1C(=O)C(C)C(C)C1=O.
What is the InChIKey of 3,4-dimethyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is CUSHHIQFMCVFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-7-16-13-12(6-5-8-17-13)9-18-14(19)10(2)11(3)15(18)20/h5-6,8,10-11H,4,7,9H2,1-3H3,(H,16,17).
What are the key properties of 3,4-dimethyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione?
3,4-dimethyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 275.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 79181550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).