1-[2-(4-ethoxybutylamino)ethyl]pyridin-4-one

C13H22N2O2 — CID 62880701

IUPAC1-[2-(4-ethoxybutylamino)ethyl]pyridin-4-one
SMILESCCOCCCCNCCn1ccc(=O)cc1
InChIInChI=1S/C13H22N2O2/c1-2-17-12-4-3-7-14-8-11-15-9-5-13(16)6-10-15/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3
InChIKeyVYBLHLNUQANTFK-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.25
Rot. Bonds9

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

1-[2-(4-ethoxybutylamino)ethyl]pyridin-4-one (PubChem CID 62880701) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[2-(4-ethoxybutylamino)ethyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-(4-ethoxybutylamino)ethyl]pyridin-4-one
PubChem CID62880701
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[2-(4-ethoxybutylamino)ethyl]pyridin-4-one
SMILESCCOCCCCNCCn1ccc(=O)cc1
InChIInChI=1S/C13H22N2O2/c1-2-17-12-4-3-7-14-8-11-15-9-5-13(16)6-10-15/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3
InChIKeyVYBLHLNUQANTFK-UHFFFAOYSA-N
XLogP1.25
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.25
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-(4-ethoxybutylamino)ethyl]pyridin-4-one?
The IUPAC name of 1-[2-(4-ethoxybutylamino)ethyl]pyridin-4-one (CID 62880701) is 1-[2-(4-ethoxybutylamino)ethyl]pyridin-4-one.
What is the SMILES notation for 1-[2-(4-ethoxybutylamino)ethyl]pyridin-4-one?
The canonical SMILES for 1-[2-(4-ethoxybutylamino)ethyl]pyridin-4-one is CCOCCCCNCCn1ccc(=O)cc1.
What is the InChIKey of 1-[2-(4-ethoxybutylamino)ethyl]pyridin-4-one?
The InChIKey is VYBLHLNUQANTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-17-12-4-3-7-14-8-11-15-9-5-13(16)6-10-15/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3.
What are the key properties of 1-[2-(4-ethoxybutylamino)ethyl]pyridin-4-one?
1-[2-(4-ethoxybutylamino)ethyl]pyridin-4-one has a molecular weight of 238.33 g/mol, XLogP of 1.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxybutylamino)ethyl]pyridin-4-one is sourced from PubChem (CID 62880701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).