1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione

C13H17N3O2 — CID 63063639

IUPAC1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(c2ccncc2N)C1=O
InChIInChI=1S/C13H17N3O2/c1-3-13(4-2)7-11(17)16(12(13)18)10-5-6-15-8-9(10)14/h5-6,8H,3-4,7,14H2,1-2H3
InChIKeyVSHQLKAFDRKDPW-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.73
Rot. Bonds3

About 1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione

1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione (PubChem CID 63063639) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione
PubChem CID63063639
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(c2ccncc2N)C1=O
InChIInChI=1S/C13H17N3O2/c1-3-13(4-2)7-11(17)16(12(13)18)10-5-6-15-8-9(10)14/h5-6,8H,3-4,7,14H2,1-2H3
InChIKeyVSHQLKAFDRKDPW-UHFFFAOYSA-N
XLogP1.73
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.73
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

4-(2,2,2-Trimethylacetamido)pyridine
CID 427059
3,3-Diethyl-1-(pyridin-3-yl)azetidine-2,4-dione
CID 44626811
2,5-Pyrrolidinedione, 1-(4-pyridinyl)-
CID 12701049
1-(Pyridin-3-yl)pyrrolidine-2,5-dione
CID 2737832
2,2-dimethyl-N-(pyridin-3-yl)propanamide
CID 4655044
2-propyl-N-4-pyridinylpentanamide
CID 888114
2-methyl-N-(pyridin-4-yl)pentanamide
CID 4664648
3,4-Bis(acetylamino)pyridine
CID 4348250
N-(3-aminopyridin-4-yl)acetamide
CID 10749361
2-ethyl-N-(4-pyridinyl)butanamide
CID 824386
5-oxo-1-phenyl-N-(pyridin-4-yl)pyrrolidine-3-carboxamide
CID 6497256
N-(3-amino-4-pyridinyl)cyclopentanecarboxamide
CID 57402383

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione (CID 63063639) is 1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(c2ccncc2N)C1=O.
What is the InChIKey of 1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione?
The InChIKey is VSHQLKAFDRKDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-13(4-2)7-11(17)16(12(13)18)10-5-6-15-8-9(10)14/h5-6,8H,3-4,7,14H2,1-2H3.
What are the key properties of 1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione?
1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione has a molecular weight of 247.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-pyridinyl)-3,3-diethylpyrrolidine-2,5-dione is sourced from PubChem (CID 63063639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).