1-(4-amino-3-ethoxybutyl)pyridin-4-one

C11H18N2O2 — CID 63070113

IUPAC1-(4-amino-3-ethoxybutyl)pyridin-4-one
SMILESCCOC(CN)CCn1ccc(=O)cc1
InChIInChI=1S/C11H18N2O2/c1-2-15-11(9-12)5-8-13-6-3-10(14)4-7-13/h3-4,6-7,11H,2,5,8-9,12H2,1H3
InChIKeyMVCOMUOLKNPEEU-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.60
Rot. Bonds6

About 1-(4-amino-3-ethoxybutyl)pyridin-4-one

1-(4-amino-3-ethoxybutyl)pyridin-4-one (PubChem CID 63070113) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(4-amino-3-ethoxybutyl)pyridin-4-one.

Molecular Properties

Compound Name1-(4-amino-3-ethoxybutyl)pyridin-4-one
PubChem CID63070113
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(4-amino-3-ethoxybutyl)pyridin-4-one
SMILESCCOC(CN)CCn1ccc(=O)cc1
InChIInChI=1S/C11H18N2O2/c1-2-15-11(9-12)5-8-13-6-3-10(14)4-7-13/h3-4,6-7,11H,2,5,8-9,12H2,1H3
InChIKeyMVCOMUOLKNPEEU-UHFFFAOYSA-N
XLogP0.60
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-ethoxybutyl)pyridin-4-one?
The IUPAC name of 1-(4-amino-3-ethoxybutyl)pyridin-4-one (CID 63070113) is 1-(4-amino-3-ethoxybutyl)pyridin-4-one.
What is the SMILES notation for 1-(4-amino-3-ethoxybutyl)pyridin-4-one?
The canonical SMILES for 1-(4-amino-3-ethoxybutyl)pyridin-4-one is CCOC(CN)CCn1ccc(=O)cc1.
What is the InChIKey of 1-(4-amino-3-ethoxybutyl)pyridin-4-one?
The InChIKey is MVCOMUOLKNPEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-15-11(9-12)5-8-13-6-3-10(14)4-7-13/h3-4,6-7,11H,2,5,8-9,12H2,1H3.
What are the key properties of 1-(4-amino-3-ethoxybutyl)pyridin-4-one?
1-(4-amino-3-ethoxybutyl)pyridin-4-one has a molecular weight of 210.28 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-ethoxybutyl)pyridin-4-one is sourced from PubChem (CID 63070113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).