3-(ethylaminomethyl)-6-(4-propan-2-yloxyphenyl)-1H-pyridin-2-one

C17H22N2O2 — CID 82517876

IUPAC3-(ethylaminomethyl)-6-(4-propan-2-yloxyphenyl)-1H-pyridin-2-one
SMILESCCNCc1ccc(-c2ccc(OC(C)C)cc2)[nH]c1=O
InChIInChI=1S/C17H22N2O2/c1-4-18-11-14-7-10-16(19-17(14)20)13-5-8-15(9-6-13)21-12(2)3/h5-10,12,18H,4,11H2,1-3H3,(H,19,20)
InChIKeyQIQMHKUWHFBSCL-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.94
Rot. Bonds6

About 3-(ethylaminomethyl)-6-(4-propan-2-yloxyphenyl)-1H-pyridin-2-one

3-(ethylaminomethyl)-6-(4-propan-2-yloxyphenyl)-1H-pyridin-2-one (PubChem CID 82517876) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-6-(4-propan-2-yloxyphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(ethylaminomethyl)-6-(4-propan-2-yloxyphenyl)-1H-pyridin-2-one
PubChem CID82517876
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-(ethylaminomethyl)-6-(4-propan-2-yloxyphenyl)-1H-pyridin-2-one
SMILESCCNCc1ccc(-c2ccc(OC(C)C)cc2)[nH]c1=O
InChIInChI=1S/C17H22N2O2/c1-4-18-11-14-7-10-16(19-17(14)20)13-5-8-15(9-6-13)21-12(2)3/h5-10,12,18H,4,11H2,1-3H3,(H,19,20)
InChIKeyQIQMHKUWHFBSCL-UHFFFAOYSA-N
XLogP2.94
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylaminomethyl)-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82518160
N-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine
CID 54804735
3-(methylaminomethyl)-6-(4-propoxyphenyl)-1H-pyridin-2-one
CID 82517817
3-[(2-methoxyethylamino)methyl]-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82518152
N-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine
CID 82553016
3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one
CID 82520963
3-(butylaminomethyl)-6-(4-ethylphenyl)-1H-pyridin-2-one
CID 82520675
3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one
CID 82520486
N-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine
CID 84756405
N-ethyl-5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-amine
CID 55145179
3-(bromomethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one
CID 82520471
ethane;6-methoxy-3-(4-propan-2-yloxyphenyl)-2H-isoquinolin-1-one
CID 144609811

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-6-(4-propan-2-yloxyphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-(ethylaminomethyl)-6-(4-propan-2-yloxyphenyl)-1H-pyridin-2-one (CID 82517876) is 3-(ethylaminomethyl)-6-(4-propan-2-yloxyphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(ethylaminomethyl)-6-(4-propan-2-yloxyphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(ethylaminomethyl)-6-(4-propan-2-yloxyphenyl)-1H-pyridin-2-one is CCNCc1ccc(-c2ccc(OC(C)C)cc2)[nH]c1=O.
What is the InChIKey of 3-(ethylaminomethyl)-6-(4-propan-2-yloxyphenyl)-1H-pyridin-2-one?
The InChIKey is QIQMHKUWHFBSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-18-11-14-7-10-16(19-17(14)20)13-5-8-15(9-6-13)21-12(2)3/h5-10,12,18H,4,11H2,1-3H3,(H,19,20).
What are the key properties of 3-(ethylaminomethyl)-6-(4-propan-2-yloxyphenyl)-1H-pyridin-2-one?
3-(ethylaminomethyl)-6-(4-propan-2-yloxyphenyl)-1H-pyridin-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-6-(4-propan-2-yloxyphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 82517876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).