3-amino-1-ethylpyridin-4-one

C7H10N2O — CID 71756677

IUPAC3-amino-1-ethylpyridin-4-one
SMILESCCn1ccc(=O)c(N)c1
InChIInChI=1S/C7H10N2O/c1-2-9-4-3-7(10)6(8)5-9/h3-5H,2,8H2,1H3
InChIKeyJPOSETIVTHOHTL-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.45
Rot. Bonds1

About 3-amino-1-ethylpyridin-4-one

3-amino-1-ethylpyridin-4-one (PubChem CID 71756677) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-amino-1-ethylpyridin-4-one.

Molecular Properties

Compound Name3-amino-1-ethylpyridin-4-one
PubChem CID71756677
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-amino-1-ethylpyridin-4-one
SMILESCCn1ccc(=O)c(N)c1
InChIInChI=1S/C7H10N2O/c1-2-9-4-3-7(10)6(8)5-9/h3-5H,2,8H2,1H3
InChIKeyJPOSETIVTHOHTL-UHFFFAOYSA-N
XLogP0.45
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Aminopyridin-4-ol
CID 233392
3-Amino-1-methyl-4(1H)-pyridinone
CID 55282111
1-ethylpyridin-4(1H)-one
CID 53989259
3-Amino-2-fluoropyridin-4-ol
CID 130923611
3-Amino-1-methyl-1,4-dihydropyridin-4-one dihydrochloride
CID 165665115
Dimethylaminomethylene-2-pyrrolin-4-one
CID 129780161
1-(1,4-Dihydropyrazin-2-yl)ethanone
CID 53350347
3-Amino-1-(3-fluoropropyl)-1,4-dihydropyridin-4-one
CID 82989736
3-Amino-1-(3,3,3-trifluoropropyl)-1,4-dihydropyridin-4-one
CID 82990006
3-Amino-1-(2-fluoroethyl)-1,4-dihydropyridin-4-one
CID 82991852
3-Amino-1-(2,2-difluoroethyl)-1,4-dihydropyridin-4-one
CID 82991866
3-Amino-1-(2,2,2-trifluoroethyl)-1,4-dihydropyridin-4-one
CID 82992304

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethylpyridin-4-one?
The IUPAC name of 3-amino-1-ethylpyridin-4-one (CID 71756677) is 3-amino-1-ethylpyridin-4-one.
What is the SMILES notation for 3-amino-1-ethylpyridin-4-one?
The canonical SMILES for 3-amino-1-ethylpyridin-4-one is CCn1ccc(=O)c(N)c1.
What is the InChIKey of 3-amino-1-ethylpyridin-4-one?
The InChIKey is JPOSETIVTHOHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-9-4-3-7(10)6(8)5-9/h3-5H,2,8H2,1H3.
What are the key properties of 3-amino-1-ethylpyridin-4-one?
3-amino-1-ethylpyridin-4-one has a molecular weight of 138.17 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethylpyridin-4-one is sourced from PubChem (CID 71756677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).