3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one

C16H20N2O2 — CID 82518553

IUPAC3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
SMILESCCn1c(-c2cccc(OC)c2)ccc(C(C)N)c1=O
InChIInChI=1S/C16H20N2O2/c1-4-18-15(9-8-14(11(2)17)16(18)19)12-6-5-7-13(10-12)20-3/h5-11H,4,17H2,1-3H3
InChIKeyFHVWPIDPGDVIJZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.56
Rot. Bonds4

About 3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one

3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one (PubChem CID 82518553) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
PubChem CID82518553
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
SMILESCCn1c(-c2cccc(OC)c2)ccc(C(C)N)c1=O
InChIInChI=1S/C16H20N2O2/c1-4-18-15(9-8-14(11(2)17)16(18)19)12-6-5-7-13(10-12)20-3/h5-11H,4,17H2,1-3H3
InChIKeyFHVWPIDPGDVIJZ-UHFFFAOYSA-N
XLogP2.56
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
CID 82518556
2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride
CID 82518551
2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82518561
3-(1-aminoethyl)-1-ethyl-6-(4-propan-2-ylphenyl)pyridin-2-one
CID 82520425
3-amino-6-(3-ethoxyphenyl)-1-ethylpyridin-2-one
CID 82467041
3-(1-aminoethyl)-1-methyl-6-[3-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82518171
1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
CID 82518280
3-ethyl-4-(3-methoxyphenyl)-1H-imidazol-2-one
CID 118668081
3-(1-aminoethyl)-1-ethyl-6-(2-propan-2-yloxyphenyl)pyridin-2-one
CID 82518673
1-ethyl-3-(methylaminomethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
CID 82518277
3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one
CID 82518457
1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146801

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one?
The IUPAC name of 3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one (CID 82518553) is 3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one is CCn1c(-c2cccc(OC)c2)ccc(C(C)N)c1=O.
What is the InChIKey of 3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one?
The InChIKey is FHVWPIDPGDVIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-18-15(9-8-14(11(2)17)16(18)19)12-6-5-7-13(10-12)20-3/h5-11H,4,17H2,1-3H3.
What are the key properties of 3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one?
3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one is sourced from PubChem (CID 82518553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).