3-amino-6-(4-chlorophenyl)-1-(3-methylbutyl)pyridin-2-one

C16H19ClN2O — CID 82466944

IUPAC3-amino-6-(4-chlorophenyl)-1-(3-methylbutyl)pyridin-2-one
SMILESCC(C)CCn1c(-c2ccc(Cl)cc2)ccc(N)c1=O
InChIInChI=1S/C16H19ClN2O/c1-11(2)9-10-19-15(8-7-14(18)16(19)20)12-3-5-13(17)6-4-12/h3-8,11H,9-10,18H2,1-2H3
InChIKeyOYJVVPPCNHEISU-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.80
Rot. Bonds4

About 3-amino-6-(4-chlorophenyl)-1-(3-methylbutyl)pyridin-2-one

3-amino-6-(4-chlorophenyl)-1-(3-methylbutyl)pyridin-2-one (PubChem CID 82466944) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 3-amino-6-(4-chlorophenyl)-1-(3-methylbutyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-6-(4-chlorophenyl)-1-(3-methylbutyl)pyridin-2-one
PubChem CID82466944
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name3-amino-6-(4-chlorophenyl)-1-(3-methylbutyl)pyridin-2-one
SMILESCC(C)CCn1c(-c2ccc(Cl)cc2)ccc(N)c1=O
InChIInChI=1S/C16H19ClN2O/c1-11(2)9-10-19-15(8-7-14(18)16(19)20)12-3-5-13(17)6-4-12/h3-8,11H,9-10,18H2,1-2H3
InChIKeyOYJVVPPCNHEISU-UHFFFAOYSA-N
XLogP3.80
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chlorophenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde
CID 82519233
3-(chloromethyl)-1-(3-methylbutyl)-6-phenylpyridin-2-one
CID 82521073
3-amino-6-(4-ethoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
CID 82467100
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519259
2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid
CID 82521071
6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099160
3-amino-6-(3,4-dichlorophenyl)-1-ethylpyridin-2-one
CID 82466961
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
CID 82519305
3-amino-6-(4-nitrophenyl)-1-pentylpyridin-2-one
CID 82467243
1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde
CID 82519268
3-amino-1-butyl-6-(3,4-dimethylphenyl)pyridin-2-one
CID 82466882
6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82519302

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-chlorophenyl)-1-(3-methylbutyl)pyridin-2-one?
The IUPAC name of 3-amino-6-(4-chlorophenyl)-1-(3-methylbutyl)pyridin-2-one (CID 82466944) is 3-amino-6-(4-chlorophenyl)-1-(3-methylbutyl)pyridin-2-one.
What is the SMILES notation for 3-amino-6-(4-chlorophenyl)-1-(3-methylbutyl)pyridin-2-one?
The canonical SMILES for 3-amino-6-(4-chlorophenyl)-1-(3-methylbutyl)pyridin-2-one is CC(C)CCn1c(-c2ccc(Cl)cc2)ccc(N)c1=O.
What is the InChIKey of 3-amino-6-(4-chlorophenyl)-1-(3-methylbutyl)pyridin-2-one?
The InChIKey is OYJVVPPCNHEISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11(2)9-10-19-15(8-7-14(18)16(19)20)12-3-5-13(17)6-4-12/h3-8,11H,9-10,18H2,1-2H3.
What are the key properties of 3-amino-6-(4-chlorophenyl)-1-(3-methylbutyl)pyridin-2-one?
3-amino-6-(4-chlorophenyl)-1-(3-methylbutyl)pyridin-2-one has a molecular weight of 290.79 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-chlorophenyl)-1-(3-methylbutyl)pyridin-2-one is sourced from PubChem (CID 82466944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).