3-(2-aminopropan-2-yl)-6-(5-chloro-2-methoxyphenyl)-1-methylpyridin-2-one

C16H19ClN2O2 — CID 82517234

IUPAC3-(2-aminopropan-2-yl)-6-(5-chloro-2-methoxyphenyl)-1-methylpyridin-2-one
SMILESCOc1ccc(Cl)cc1-c1ccc(C(C)(C)N)c(=O)n1C
InChIInChI=1S/C16H19ClN2O2/c1-16(2,18)12-6-7-13(19(3)15(12)20)11-9-10(17)5-8-14(11)21-4/h5-9H,18H2,1-4H3
InChIKeyMJLKAZONQRGUGN-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.91
Rot. Bonds3

About 3-(2-aminopropan-2-yl)-6-(5-chloro-2-methoxyphenyl)-1-methylpyridin-2-one

3-(2-aminopropan-2-yl)-6-(5-chloro-2-methoxyphenyl)-1-methylpyridin-2-one (PubChem CID 82517234) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-6-(5-chloro-2-methoxyphenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)-6-(5-chloro-2-methoxyphenyl)-1-methylpyridin-2-one
PubChem CID82517234
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name3-(2-aminopropan-2-yl)-6-(5-chloro-2-methoxyphenyl)-1-methylpyridin-2-one
SMILESCOc1ccc(Cl)cc1-c1ccc(C(C)(C)N)c(=O)n1C
InChIInChI=1S/C16H19ClN2O2/c1-16(2,18)12-6-7-13(19(3)15(12)20)11-9-10(17)5-8-14(11)21-4/h5-9H,18H2,1-4H3
InChIKeyMJLKAZONQRGUGN-UHFFFAOYSA-N
XLogP2.91
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
CID 82517215
6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde
CID 82517213
3-(1-aminoethyl)-6-(5-chloro-2-methoxyphenyl)-1-ethylpyridin-2-one
CID 82517220
3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one
CID 82517476
6-(5-chloro-2-methoxyphenyl)-2-methyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82444558
3-(5-chloro-2-methoxyphenyl)-5-(2-hydroxypropan-2-yl)-1H-pyridazin-6-one
CID 82446409
(2R)-2-(5-chloro-2-methoxyphenyl)but-3-en-2-amine
CID 130684058
4-(5-chloro-2-methoxyphenyl)heptan-4-amine
CID 54886842
3-amino-6-(5-chloro-2-methoxyphenyl)-1H-pyridin-2-one
CID 82467202
6-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile
CID 82517210
2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325269
3-amino-6-(3-chloro-4-methoxyphenyl)-1-methylpyridin-2-one
CID 82467213

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-6-(5-chloro-2-methoxyphenyl)-1-methylpyridin-2-one?
The IUPAC name of 3-(2-aminopropan-2-yl)-6-(5-chloro-2-methoxyphenyl)-1-methylpyridin-2-one (CID 82517234) is 3-(2-aminopropan-2-yl)-6-(5-chloro-2-methoxyphenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 3-(2-aminopropan-2-yl)-6-(5-chloro-2-methoxyphenyl)-1-methylpyridin-2-one?
The canonical SMILES for 3-(2-aminopropan-2-yl)-6-(5-chloro-2-methoxyphenyl)-1-methylpyridin-2-one is COc1ccc(Cl)cc1-c1ccc(C(C)(C)N)c(=O)n1C.
What is the InChIKey of 3-(2-aminopropan-2-yl)-6-(5-chloro-2-methoxyphenyl)-1-methylpyridin-2-one?
The InChIKey is MJLKAZONQRGUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-16(2,18)12-6-7-13(19(3)15(12)20)11-9-10(17)5-8-14(11)21-4/h5-9H,18H2,1-4H3.
What are the key properties of 3-(2-aminopropan-2-yl)-6-(5-chloro-2-methoxyphenyl)-1-methylpyridin-2-one?
3-(2-aminopropan-2-yl)-6-(5-chloro-2-methoxyphenyl)-1-methylpyridin-2-one has a molecular weight of 306.79 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)-6-(5-chloro-2-methoxyphenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 82517234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).