3-(butylaminomethyl)-6-(4-ethylphenyl)-1H-pyridin-2-one

C18H24N2O — CID 82520675

IUPAC3-(butylaminomethyl)-6-(4-ethylphenyl)-1H-pyridin-2-one
SMILESCCCCNCc1ccc(-c2ccc(CC)cc2)[nH]c1=O
InChIInChI=1S/C18H24N2O/c1-3-5-12-19-13-16-10-11-17(20-18(16)21)15-8-6-14(4-2)7-9-15/h6-11,19H,3-5,12-13H2,1-2H3,(H,20,21)
InChIKeyOOSBQLUQOXYLSL-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.49
Rot. Bonds7

About 3-(butylaminomethyl)-6-(4-ethylphenyl)-1H-pyridin-2-one

3-(butylaminomethyl)-6-(4-ethylphenyl)-1H-pyridin-2-one (PubChem CID 82520675) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-(butylaminomethyl)-6-(4-ethylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(butylaminomethyl)-6-(4-ethylphenyl)-1H-pyridin-2-one
PubChem CID82520675
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-(butylaminomethyl)-6-(4-ethylphenyl)-1H-pyridin-2-one
SMILESCCCCNCc1ccc(-c2ccc(CC)cc2)[nH]c1=O
InChIInChI=1S/C18H24N2O/c1-3-5-12-19-13-16-10-11-17(20-18(16)21)15-8-6-14(4-2)7-9-15/h6-11,19H,3-5,12-13H2,1-2H3,(H,20,21)
InChIKeyOOSBQLUQOXYLSL-UHFFFAOYSA-N
XLogP3.49
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-tert-butyl-3-(butylaminomethyl)-1H-pyridin-2-one
CID 82523992
3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one
CID 82520963
6-(3,4-dimethoxyphenyl)-3-(propylaminomethyl)-1H-pyridin-2-one
CID 82517620
3-(ethylaminomethyl)-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82518160
3-[(2-methoxyethylamino)methyl]-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82518152
3-(4-ethylphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one
CID 82445478
3-(ethylaminomethyl)-6-(4-propan-2-yloxyphenyl)-1H-pyridin-2-one
CID 82517876
3-(methylaminomethyl)-6-(4-propoxyphenyl)-1H-pyridin-2-one
CID 82517817
5-(butylaminomethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445436
6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1H-pyridin-2-one
CID 82520167
ethane;3-ethyl-6-phenyl-1H-pyridin-2-one
CID 145103811
N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride
CID 17291031

Frequently Asked Questions

What is the IUPAC name of 3-(butylaminomethyl)-6-(4-ethylphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-(butylaminomethyl)-6-(4-ethylphenyl)-1H-pyridin-2-one (CID 82520675) is 3-(butylaminomethyl)-6-(4-ethylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(butylaminomethyl)-6-(4-ethylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(butylaminomethyl)-6-(4-ethylphenyl)-1H-pyridin-2-one is CCCCNCc1ccc(-c2ccc(CC)cc2)[nH]c1=O.
What is the InChIKey of 3-(butylaminomethyl)-6-(4-ethylphenyl)-1H-pyridin-2-one?
The InChIKey is OOSBQLUQOXYLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-5-12-19-13-16-10-11-17(20-18(16)21)15-8-6-14(4-2)7-9-15/h6-11,19H,3-5,12-13H2,1-2H3,(H,20,21).
What are the key properties of 3-(butylaminomethyl)-6-(4-ethylphenyl)-1H-pyridin-2-one?
3-(butylaminomethyl)-6-(4-ethylphenyl)-1H-pyridin-2-one has a molecular weight of 284.40 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylaminomethyl)-6-(4-ethylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 82520675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).