3-amino-1-butyl-6-(3,4-dimethylphenyl)pyridin-2-one

C17H22N2O — CID 82466882

IUPAC3-amino-1-butyl-6-(3,4-dimethylphenyl)pyridin-2-one
SMILESCCCCn1c(-c2ccc(C)c(C)c2)ccc(N)c1=O
InChIInChI=1S/C17H22N2O/c1-4-5-10-19-16(9-8-15(18)17(19)20)14-7-6-12(2)13(3)11-14/h6-9,11H,4-5,10,18H2,1-3H3
InChIKeyNLMPDMQOAZNPHE-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.51
Rot. Bonds4

About 3-amino-1-butyl-6-(3,4-dimethylphenyl)pyridin-2-one

3-amino-1-butyl-6-(3,4-dimethylphenyl)pyridin-2-one (PubChem CID 82466882) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-amino-1-butyl-6-(3,4-dimethylphenyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-butyl-6-(3,4-dimethylphenyl)pyridin-2-one
PubChem CID82466882
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-amino-1-butyl-6-(3,4-dimethylphenyl)pyridin-2-one
SMILESCCCCn1c(-c2ccc(C)c(C)c2)ccc(N)c1=O
InChIInChI=1S/C17H22N2O/c1-4-5-10-19-16(9-8-15(18)17(19)20)14-7-6-12(2)13(3)11-14/h6-9,11H,4-5,10,18H2,1-3H3
InChIKeyNLMPDMQOAZNPHE-UHFFFAOYSA-N
XLogP3.51
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-6-(4-nitrophenyl)-1-pentylpyridin-2-one
CID 82467243
1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82146491
2-[6-(3,4-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile
CID 82520075
6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82520080
3-amino-6-(3,4-dimethoxyphenyl)-1-ethylpyridin-2-one
CID 82467154
3-amino-6-(3,4-dichlorophenyl)-1-ethylpyridin-2-one
CID 82466961
3-(aminomethyl)-1-butyl-4-methyl-6-(4-methylphenyl)pyridin-2-one
CID 82189589
6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82099746
2-[6-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82519984
6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
CID 82099092
3-acetyl-6-(3,4-dimethylphenyl)-1-ethylpyridin-2-one
CID 82520107
4-(3,4-dimethylphenyl)-2-ethylaniline
CID 81287148

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-butyl-6-(3,4-dimethylphenyl)pyridin-2-one?
The IUPAC name of 3-amino-1-butyl-6-(3,4-dimethylphenyl)pyridin-2-one (CID 82466882) is 3-amino-1-butyl-6-(3,4-dimethylphenyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-butyl-6-(3,4-dimethylphenyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-butyl-6-(3,4-dimethylphenyl)pyridin-2-one is CCCCn1c(-c2ccc(C)c(C)c2)ccc(N)c1=O.
What is the InChIKey of 3-amino-1-butyl-6-(3,4-dimethylphenyl)pyridin-2-one?
The InChIKey is NLMPDMQOAZNPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-5-10-19-16(9-8-15(18)17(19)20)14-7-6-12(2)13(3)11-14/h6-9,11H,4-5,10,18H2,1-3H3.
What are the key properties of 3-amino-1-butyl-6-(3,4-dimethylphenyl)pyridin-2-one?
3-amino-1-butyl-6-(3,4-dimethylphenyl)pyridin-2-one has a molecular weight of 270.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-butyl-6-(3,4-dimethylphenyl)pyridin-2-one is sourced from PubChem (CID 82466882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).