3-amino-1-(2-methylpropyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one

C18H24N2O2 — CID 82467015

IUPAC3-amino-1-(2-methylpropyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one
SMILESCC(C)Cn1c(-c2ccccc2OC(C)C)ccc(N)c1=O
InChIInChI=1S/C18H24N2O2/c1-12(2)11-20-16(10-9-15(19)18(20)21)14-7-5-6-8-17(14)22-13(3)4/h5-10,12-13H,11,19H2,1-4H3
InChIKeyXKLBZWUVFCHRCT-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.54
Rot. Bonds5

About 3-amino-1-(2-methylpropyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one

3-amino-1-(2-methylpropyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one (PubChem CID 82467015) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-amino-1-(2-methylpropyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(2-methylpropyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one
PubChem CID82467015
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-amino-1-(2-methylpropyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one
SMILESCC(C)Cn1c(-c2ccccc2OC(C)C)ccc(N)c1=O
InChIInChI=1S/C18H24N2O2/c1-12(2)11-20-16(10-9-15(19)18(20)21)14-7-5-6-8-17(14)22-13(3)4/h5-10,12-13H,11,19H2,1-4H3
InChIKeyXKLBZWUVFCHRCT-UHFFFAOYSA-N
XLogP3.54
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-aminoethyl)-1-ethyl-6-(2-propan-2-yloxyphenyl)pyridin-2-one
CID 82518673
3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
CID 82518942
3-amino-6-[2-(2-methylpropoxy)phenyl]-1-propan-2-ylpyridin-2-one
CID 82467021
1-ethyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide
CID 82518678
3-amino-6-(2-ethoxyphenyl)-1-(2-methoxyethyl)pyridin-2-one
CID 82466998
3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1-(2-methylpropyl)pyridin-2-one
CID 82189673
3-amino-1-(2-methylpropyl)-6-(3-propoxyphenyl)pyridin-2-one
CID 82467070
1-methyl-3-(methylaminomethyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one
CID 82518697
3-amino-1-cyclopropyl-6-(2-methoxyphenyl)pyridin-2-one
CID 82466975
1-methyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide
CID 82518694
2-methyl-3-(2-propan-2-yloxyphenyl)aniline
CID 107626705
2-propan-2-yloxyaniline;hydrochloride
CID 24779669

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methylpropyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(2-methylpropyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one (CID 82467015) is 3-amino-1-(2-methylpropyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(2-methylpropyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(2-methylpropyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one is CC(C)Cn1c(-c2ccccc2OC(C)C)ccc(N)c1=O.
What is the InChIKey of 3-amino-1-(2-methylpropyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one?
The InChIKey is XKLBZWUVFCHRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12(2)11-20-16(10-9-15(19)18(20)21)14-7-5-6-8-17(14)22-13(3)4/h5-10,12-13H,11,19H2,1-4H3.
What are the key properties of 3-amino-1-(2-methylpropyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one?
3-amino-1-(2-methylpropyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one has a molecular weight of 300.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methylpropyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one is sourced from PubChem (CID 82467015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).