3-amino-6-(3-chloro-4-methoxyphenyl)-1-methylpyridin-2-one

C13H13ClN2O2 — CID 82467213

IUPAC3-amino-6-(3-chloro-4-methoxyphenyl)-1-methylpyridin-2-one
SMILESCOc1ccc(-c2ccc(N)c(=O)n2C)cc1Cl
InChIInChI=1S/C13H13ClN2O2/c1-16-11(5-4-10(15)13(16)17)8-3-6-12(18-2)9(14)7-8/h3-7H,15H2,1-2H3
InChIKeyHPNVQABIZOLXDT-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.30
Rot. Bonds2

About 3-amino-6-(3-chloro-4-methoxyphenyl)-1-methylpyridin-2-one

3-amino-6-(3-chloro-4-methoxyphenyl)-1-methylpyridin-2-one (PubChem CID 82467213) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 3-amino-6-(3-chloro-4-methoxyphenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-amino-6-(3-chloro-4-methoxyphenyl)-1-methylpyridin-2-one
PubChem CID82467213
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name3-amino-6-(3-chloro-4-methoxyphenyl)-1-methylpyridin-2-one
SMILESCOc1ccc(-c2ccc(N)c(=O)n2C)cc1Cl
InChIInChI=1S/C13H13ClN2O2/c1-16-11(5-4-10(15)13(16)17)8-3-6-12(18-2)9(14)7-8/h3-7H,15H2,1-2H3
InChIKeyHPNVQABIZOLXDT-UHFFFAOYSA-N
XLogP2.30
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(3-chloro-4-methoxyphenyl)aniline
CID 62908744
5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine
CID 82114977
3-amino-6-(3,4-dimethoxyphenyl)-1-ethylpyridin-2-one
CID 82467154
6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
CID 82517171
5-(3-chloro-4-methoxyphenyl)-2-methylaniline
CID 54912520
3-amino-1-cyclopropyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one
CID 82467193
3-amino-6-(3,4-dichlorophenyl)-1-ethylpyridin-2-one
CID 82466961
2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82517166
2-[6-(4-methoxy-3-methylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetyl chloride
CID 82517344
4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 55233537
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167
5-(3-chloro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556505

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-chloro-4-methoxyphenyl)-1-methylpyridin-2-one?
The IUPAC name of 3-amino-6-(3-chloro-4-methoxyphenyl)-1-methylpyridin-2-one (CID 82467213) is 3-amino-6-(3-chloro-4-methoxyphenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 3-amino-6-(3-chloro-4-methoxyphenyl)-1-methylpyridin-2-one?
The canonical SMILES for 3-amino-6-(3-chloro-4-methoxyphenyl)-1-methylpyridin-2-one is COc1ccc(-c2ccc(N)c(=O)n2C)cc1Cl.
What is the InChIKey of 3-amino-6-(3-chloro-4-methoxyphenyl)-1-methylpyridin-2-one?
The InChIKey is HPNVQABIZOLXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-16-11(5-4-10(15)13(16)17)8-3-6-12(18-2)9(14)7-8/h3-7H,15H2,1-2H3.
What are the key properties of 3-amino-6-(3-chloro-4-methoxyphenyl)-1-methylpyridin-2-one?
3-amino-6-(3-chloro-4-methoxyphenyl)-1-methylpyridin-2-one has a molecular weight of 264.71 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-chloro-4-methoxyphenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 82467213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).