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

C12H20N2O2 — CID 62880862

IUPAC1-[2-(3-ethoxypropylamino)ethyl]pyridin-4-one
SMILESCCOCCCNCCn1ccc(=O)cc1
InChIInChI=1S/C12H20N2O2/c1-2-16-11-3-6-13-7-10-14-8-4-12(15)5-9-14/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3
InChIKeyPOBJYUYZPLNMHM-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.86
Rot. Bonds8

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

1-[2-(3-ethoxypropylamino)ethyl]pyridin-4-one (PubChem CID 62880862) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[2-(3-ethoxypropylamino)ethyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-(3-ethoxypropylamino)ethyl]pyridin-4-one
PubChem CID62880862
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[2-(3-ethoxypropylamino)ethyl]pyridin-4-one
SMILESCCOCCCNCCn1ccc(=O)cc1
InChIInChI=1S/C12H20N2O2/c1-2-16-11-3-6-13-7-10-14-8-4-12(15)5-9-14/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3
InChIKeyPOBJYUYZPLNMHM-UHFFFAOYSA-N
XLogP0.86
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.86
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-ethoxypropylamino)ethyl]pyridin-4-one?
The IUPAC name of 1-[2-(3-ethoxypropylamino)ethyl]pyridin-4-one (CID 62880862) is 1-[2-(3-ethoxypropylamino)ethyl]pyridin-4-one.
What is the SMILES notation for 1-[2-(3-ethoxypropylamino)ethyl]pyridin-4-one?
The canonical SMILES for 1-[2-(3-ethoxypropylamino)ethyl]pyridin-4-one is CCOCCCNCCn1ccc(=O)cc1.
What is the InChIKey of 1-[2-(3-ethoxypropylamino)ethyl]pyridin-4-one?
The InChIKey is POBJYUYZPLNMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-16-11-3-6-13-7-10-14-8-4-12(15)5-9-14/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3.
What are the key properties of 1-[2-(3-ethoxypropylamino)ethyl]pyridin-4-one?
1-[2-(3-ethoxypropylamino)ethyl]pyridin-4-one has a molecular weight of 224.30 g/mol, XLogP of 0.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxypropylamino)ethyl]pyridin-4-one is sourced from PubChem (CID 62880862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).