1-(4-amino-3-ethoxybutyl)pyridin-2-one

C11H18N2O2 — CID 63071421

IUPAC1-(4-amino-3-ethoxybutyl)pyridin-2-one
SMILESCCOC(CN)CCn1ccccc1=O
InChIInChI=1S/C11H18N2O2/c1-2-15-10(9-12)6-8-13-7-4-3-5-11(13)14/h3-5,7,10H,2,6,8-9,12H2,1H3
InChIKeyRDMGRPMROXPUEV-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.60
Rot. Bonds6

About 1-(4-amino-3-ethoxybutyl)pyridin-2-one

1-(4-amino-3-ethoxybutyl)pyridin-2-one (PubChem CID 63071421) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(4-amino-3-ethoxybutyl)pyridin-2-one.

Molecular Properties

Compound Name1-(4-amino-3-ethoxybutyl)pyridin-2-one
PubChem CID63071421
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(4-amino-3-ethoxybutyl)pyridin-2-one
SMILESCCOC(CN)CCn1ccccc1=O
InChIInChI=1S/C11H18N2O2/c1-2-15-10(9-12)6-8-13-7-4-3-5-11(13)14/h3-5,7,10H,2,6,8-9,12H2,1H3
InChIKeyRDMGRPMROXPUEV-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-2-one?
The IUPAC name of 1-(4-amino-3-ethoxybutyl)pyridin-2-one (CID 63071421) is 1-(4-amino-3-ethoxybutyl)pyridin-2-one.
What is the SMILES notation for 1-(4-amino-3-ethoxybutyl)pyridin-2-one?
The canonical SMILES for 1-(4-amino-3-ethoxybutyl)pyridin-2-one is CCOC(CN)CCn1ccccc1=O.
What is the InChIKey of 1-(4-amino-3-ethoxybutyl)pyridin-2-one?
The InChIKey is RDMGRPMROXPUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-15-10(9-12)6-8-13-7-4-3-5-11(13)14/h3-5,7,10H,2,6,8-9,12H2,1H3.
What are the key properties of 1-(4-amino-3-ethoxybutyl)pyridin-2-one?
1-(4-amino-3-ethoxybutyl)pyridin-2-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-2-one is sourced from PubChem (CID 63071421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).