1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-4-one

C12H21N3O — CID 62881031

IUPAC1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-4-one
SMILESCN(C)CCCNCCn1ccc(=O)cc1
InChIInChI=1S/C12H21N3O/c1-14(2)8-3-6-13-7-11-15-9-4-12(16)5-10-15/h4-5,9-10,13H,3,6-8,11H2,1-2H3
InChIKeyLSPPCQZLYIMGIJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.39
Rot. Bonds7

About 1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-4-one

1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-4-one (PubChem CID 62881031) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-4-one
PubChem CID62881031
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-4-one
SMILESCN(C)CCCNCCn1ccc(=O)cc1
InChIInChI=1S/C12H21N3O/c1-14(2)8-3-6-13-7-11-15-9-4-12(16)5-10-15/h4-5,9-10,13H,3,6-8,11H2,1-2H3
InChIKeyLSPPCQZLYIMGIJ-UHFFFAOYSA-N
XLogP0.39
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.39
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-[3-(dimethylamino)propylamino]ethyl]pyridin-4-one?
The IUPAC name of 1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-4-one (CID 62881031) is 1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-4-one.
What is the SMILES notation for 1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-4-one?
The canonical SMILES for 1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-4-one is CN(C)CCCNCCn1ccc(=O)cc1.
What is the InChIKey of 1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-4-one?
The InChIKey is LSPPCQZLYIMGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-14(2)8-3-6-13-7-11-15-9-4-12(16)5-10-15/h4-5,9-10,13H,3,6-8,11H2,1-2H3.
What are the key properties of 1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-4-one?
1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-4-one has a molecular weight of 223.32 g/mol, XLogP of 0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-4-one is sourced from PubChem (CID 62881031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).