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

C10H16N2O2 — CID 63072356

IUPAC1-(3-amino-2-ethoxypropyl)pyridin-4-one
SMILESCCOC(CN)Cn1ccc(=O)cc1
InChIInChI=1S/C10H16N2O2/c1-2-14-10(7-11)8-12-5-3-9(13)4-6-12/h3-6,10H,2,7-8,11H2,1H3
InChIKeyXSIYCWAGLPLJPD-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.21
Rot. Bonds5

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

1-(3-amino-2-ethoxypropyl)pyridin-4-one (PubChem CID 63072356) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(3-amino-2-ethoxypropyl)pyridin-4-one.

Molecular Properties

Compound Name1-(3-amino-2-ethoxypropyl)pyridin-4-one
PubChem CID63072356
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(3-amino-2-ethoxypropyl)pyridin-4-one
SMILESCCOC(CN)Cn1ccc(=O)cc1
InChIInChI=1S/C10H16N2O2/c1-2-14-10(7-11)8-12-5-3-9(13)4-6-12/h3-6,10H,2,7-8,11H2,1H3
InChIKeyXSIYCWAGLPLJPD-UHFFFAOYSA-N
XLogP0.21
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-Butoxyethylamino)ethyl]pyridin-4-one
CID 55127759
1-[2-Hydroxy-3-(methylamino)propyl]pyridin-4-one
CID 62879651
1-[3-(Ethylamino)-2-hydroxypropyl]pyridin-4-one
CID 62879822
1-[2-Hydroxy-3-(propylamino)propyl]pyridin-4-one
CID 62879824
1-(3-Amino-2-hydroxypropyl)pyridin-4-one
CID 62879825
1-[2-(3-Propan-2-yloxypropylamino)ethyl]pyridin-4-one
CID 62880867
1-[2-(2-Methoxyethylamino)ethyl]pyridin-4-one
CID 62881033
1-[3-(2-Methoxyethylamino)propyl]pyridin-4-one
CID 62881035
1-[4-(2-Methoxyethylamino)butyl]pyridin-4-one
CID 62881039
1-[2-(2-Ethoxyethylamino)ethyl]pyridin-4-one
CID 62881044
1-(4-Amino-3-ethoxybutyl)pyridin-4-one
CID 63070113
1-(Morpholin-2-ylmethyl)pyridin-4-one
CID 64533652

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-ethoxypropyl)pyridin-4-one?
The IUPAC name of 1-(3-amino-2-ethoxypropyl)pyridin-4-one (CID 63072356) is 1-(3-amino-2-ethoxypropyl)pyridin-4-one.
What is the SMILES notation for 1-(3-amino-2-ethoxypropyl)pyridin-4-one?
The canonical SMILES for 1-(3-amino-2-ethoxypropyl)pyridin-4-one is CCOC(CN)Cn1ccc(=O)cc1.
What is the InChIKey of 1-(3-amino-2-ethoxypropyl)pyridin-4-one?
The InChIKey is XSIYCWAGLPLJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-14-10(7-11)8-12-5-3-9(13)4-6-12/h3-6,10H,2,7-8,11H2,1H3.
What are the key properties of 1-(3-amino-2-ethoxypropyl)pyridin-4-one?
1-(3-amino-2-ethoxypropyl)pyridin-4-one has a molecular weight of 196.25 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-ethoxypropyl)pyridin-4-one is sourced from PubChem (CID 63072356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).