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

C8H12N2O2 — CID 82990828

IUPAC3-amino-1-(ethoxymethyl)pyridin-4-one
SMILESCCOCn1ccc(=O)c(N)c1
InChIInChI=1S/C8H12N2O2/c1-2-12-6-10-4-3-8(11)7(9)5-10/h3-5H,2,6,9H2,1H3
InChIKeyOLXHWSSYADOPEY-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.42
Rot. Bonds3

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

3-amino-1-(ethoxymethyl)pyridin-4-one (PubChem CID 82990828) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-amino-1-(ethoxymethyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-(ethoxymethyl)pyridin-4-one
PubChem CID82990828
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-amino-1-(ethoxymethyl)pyridin-4-one
SMILESCCOCn1ccc(=O)c(N)c1
InChIInChI=1S/C8H12N2O2/c1-2-12-6-10-4-3-8(11)7(9)5-10/h3-5H,2,6,9H2,1H3
InChIKeyOLXHWSSYADOPEY-UHFFFAOYSA-N
XLogP0.42
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-1-methyl-4(1H)-pyridinone
CID 55282111
3-Amino-1-ethyl-1,4-dihydropyridin-4-one
CID 71756677
3-Amino-1-[(2,2,2-trifluoroethoxy)methyl]-1,4-dihydropyridin-4-one
CID 106704856
1-(Butoxymethyl)pyridin-4-one
CID 11105973
1-[(1R)-1-methoxyethyl]pyridin-4-one
CID 167504308
(4Z)-2-amino-5-(dimethylamino)-1-hydroxypenta-1,4-dien-3-one
CID 173855676
1-(Ethoxymethyl)pyridin-4-one
CID 14143621
3-Amino-1-(2-ethoxyethyl)-1,4-dihydropyridin-4-one
CID 82990001
3-Amino-1-[2-(2-methoxyethoxy)ethyl]-1,4-dihydropyridin-4-one
CID 82990005
3-Amino-1-butyl-1,4-dihydropyridin-4-one
CID 82990266
3-Amino-1-[2-(dimethylamino)ethyl]-1,4-dihydropyridin-4-one
CID 82991102
3-Amino-1-(3-methoxypropyl)-1,4-dihydropyridin-4-one
CID 82991110

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(ethoxymethyl)pyridin-4-one?
The IUPAC name of 3-amino-1-(ethoxymethyl)pyridin-4-one (CID 82990828) is 3-amino-1-(ethoxymethyl)pyridin-4-one.
What is the SMILES notation for 3-amino-1-(ethoxymethyl)pyridin-4-one?
The canonical SMILES for 3-amino-1-(ethoxymethyl)pyridin-4-one is CCOCn1ccc(=O)c(N)c1.
What is the InChIKey of 3-amino-1-(ethoxymethyl)pyridin-4-one?
The InChIKey is OLXHWSSYADOPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-12-6-10-4-3-8(11)7(9)5-10/h3-5H,2,6,9H2,1H3.
What are the key properties of 3-amino-1-(ethoxymethyl)pyridin-4-one?
3-amino-1-(ethoxymethyl)pyridin-4-one has a molecular weight of 168.20 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(ethoxymethyl)pyridin-4-one is sourced from PubChem (CID 82990828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).