1-ethyl-3-(methylaminomethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one

C18H24N2O2 — CID 82518277

IUPAC1-ethyl-3-(methylaminomethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
SMILESCCn1c(-c2cccc(OC(C)C)c2)ccc(CNC)c1=O
InChIInChI=1S/C18H24N2O2/c1-5-20-17(10-9-15(12-19-4)18(20)21)14-7-6-8-16(11-14)22-13(2)3/h6-11,13,19H,5,12H2,1-4H3
InChIKeyCEUZCWBYNADJRV-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.04
Rot. Bonds6

About 1-ethyl-3-(methylaminomethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one

1-ethyl-3-(methylaminomethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one (PubChem CID 82518277) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-ethyl-3-(methylaminomethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(methylaminomethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
PubChem CID82518277
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-ethyl-3-(methylaminomethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
SMILESCCn1c(-c2cccc(OC(C)C)c2)ccc(CNC)c1=O
InChIInChI=1S/C18H24N2O2/c1-5-20-17(10-9-15(12-19-4)18(20)21)14-7-6-8-16(11-14)22-13(2)3/h6-11,13,19H,5,12H2,1-4H3
InChIKeyCEUZCWBYNADJRV-UHFFFAOYSA-N
XLogP3.04
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
CID 82518280
1-ethyl-3-(methylaminomethyl)-6-(3-nitrophenyl)pyridin-2-one
CID 82517103
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-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
CID 82518556
3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
CID 82518553
3-amino-6-(3-ethoxyphenyl)-1-ethylpyridin-2-one
CID 82467041
3-(ethylaminomethyl)-6-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one
CID 82518544
1-methyl-3-(methylaminomethyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one
CID 82518697
1-methyl-2-oxo-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde
CID 82518296
1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile
CID 82518218
2-oxo-1-propan-2-yl-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde
CID 82518268

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(methylaminomethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one?
The IUPAC name of 1-ethyl-3-(methylaminomethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one (CID 82518277) is 1-ethyl-3-(methylaminomethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one.
What is the SMILES notation for 1-ethyl-3-(methylaminomethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one?
The canonical SMILES for 1-ethyl-3-(methylaminomethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one is CCn1c(-c2cccc(OC(C)C)c2)ccc(CNC)c1=O.
What is the InChIKey of 1-ethyl-3-(methylaminomethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one?
The InChIKey is CEUZCWBYNADJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-5-20-17(10-9-15(12-19-4)18(20)21)14-7-6-8-16(11-14)22-13(2)3/h6-11,13,19H,5,12H2,1-4H3.
What are the key properties of 1-ethyl-3-(methylaminomethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one?
1-ethyl-3-(methylaminomethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one has a molecular weight of 300.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(methylaminomethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one is sourced from PubChem (CID 82518277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).