1-[2-[2-(diethylamino)ethylamino]ethyl]pyridin-4-one

C13H23N3O — CID 62881030

IUPAC1-[2-[2-(diethylamino)ethylamino]ethyl]pyridin-4-one
SMILESCCN(CC)CCNCCn1ccc(=O)cc1
InChIInChI=1S/C13H23N3O/c1-3-15(4-2)11-7-14-8-12-16-9-5-13(17)6-10-16/h5-6,9-10,14H,3-4,7-8,11-12H2,1-2H3
InChIKeyOXZDSEYOQMSAAP-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.78
Rot. Bonds8

About 1-[2-[2-(diethylamino)ethylamino]ethyl]pyridin-4-one

1-[2-[2-(diethylamino)ethylamino]ethyl]pyridin-4-one (PubChem CID 62881030) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[2-[2-(diethylamino)ethylamino]ethyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-[2-(diethylamino)ethylamino]ethyl]pyridin-4-one
PubChem CID62881030
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[2-[2-(diethylamino)ethylamino]ethyl]pyridin-4-one
SMILESCCN(CC)CCNCCn1ccc(=O)cc1
InChIInChI=1S/C13H23N3O/c1-3-15(4-2)11-7-14-8-12-16-9-5-13(17)6-10-16/h5-6,9-10,14H,3-4,7-8,11-12H2,1-2H3
InChIKeyOXZDSEYOQMSAAP-UHFFFAOYSA-N
XLogP0.78
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(diethylamino)ethylamino]ethyl]pyridin-4-one?
The IUPAC name of 1-[2-[2-(diethylamino)ethylamino]ethyl]pyridin-4-one (CID 62881030) is 1-[2-[2-(diethylamino)ethylamino]ethyl]pyridin-4-one.
What is the SMILES notation for 1-[2-[2-(diethylamino)ethylamino]ethyl]pyridin-4-one?
The canonical SMILES for 1-[2-[2-(diethylamino)ethylamino]ethyl]pyridin-4-one is CCN(CC)CCNCCn1ccc(=O)cc1.
What is the InChIKey of 1-[2-[2-(diethylamino)ethylamino]ethyl]pyridin-4-one?
The InChIKey is OXZDSEYOQMSAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-15(4-2)11-7-14-8-12-16-9-5-13(17)6-10-16/h5-6,9-10,14H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 1-[2-[2-(diethylamino)ethylamino]ethyl]pyridin-4-one?
1-[2-[2-(diethylamino)ethylamino]ethyl]pyridin-4-one has a molecular weight of 237.35 g/mol, XLogP of 0.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(diethylamino)ethylamino]ethyl]pyridin-4-one is sourced from PubChem (CID 62881030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).