1-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]piperidine-2,6-dione

C13H13N3O2 — CID 60814169

IUPAC1-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]piperidine-2,6-dione
SMILESNCC#Cc1cccc(N2C(=O)CCCC2=O)n1
InChIInChI=1S/C13H13N3O2/c14-9-3-5-10-4-1-6-11(15-10)16-12(17)7-2-8-13(16)18/h1,4,6H,2,7-9,14H2
InChIKeyVOQRHEUXTIAWHZ-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.44
Rot. Bonds1

About 1-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]piperidine-2,6-dione

1-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]piperidine-2,6-dione (PubChem CID 60814169) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]piperidine-2,6-dione
PubChem CID60814169
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name1-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]piperidine-2,6-dione
SMILESNCC#Cc1cccc(N2C(=O)CCCC2=O)n1
InChIInChI=1S/C13H13N3O2/c14-9-3-5-10-4-1-6-11(15-10)16-12(17)7-2-8-13(16)18/h1,4,6H,2,7-9,14H2
InChIKeyVOQRHEUXTIAWHZ-UHFFFAOYSA-N
XLogP0.44
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]piperidine-2,6-dione?
The IUPAC name of 1-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]piperidine-2,6-dione (CID 60814169) is 1-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]piperidine-2,6-dione?
The canonical SMILES for 1-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]piperidine-2,6-dione is NCC#Cc1cccc(N2C(=O)CCCC2=O)n1.
What is the InChIKey of 1-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]piperidine-2,6-dione?
The InChIKey is VOQRHEUXTIAWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-9-3-5-10-4-1-6-11(15-10)16-12(17)7-2-8-13(16)18/h1,4,6H,2,7-9,14H2.
What are the key properties of 1-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]piperidine-2,6-dione?
1-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]piperidine-2,6-dione has a molecular weight of 243.27 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]piperidine-2,6-dione is sourced from PubChem (CID 60814169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).