3-amino-6-[2-(2-methylpropoxy)phenyl]-1-propan-2-ylpyridin-2-one

C18H24N2O2 — CID 82467021

IUPAC3-amino-6-[2-(2-methylpropoxy)phenyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)COc1ccccc1-c1ccc(N)c(=O)n1C(C)C
InChIInChI=1S/C18H24N2O2/c1-12(2)11-22-17-8-6-5-7-14(17)16-10-9-15(19)18(21)20(16)13(3)4/h5-10,12-13H,11,19H2,1-4H3
InChIKeyXPVLCQWLJUFRKI-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.71
Rot. Bonds5

About 3-amino-6-[2-(2-methylpropoxy)phenyl]-1-propan-2-ylpyridin-2-one

3-amino-6-[2-(2-methylpropoxy)phenyl]-1-propan-2-ylpyridin-2-one (PubChem CID 82467021) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-amino-6-[2-(2-methylpropoxy)phenyl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-amino-6-[2-(2-methylpropoxy)phenyl]-1-propan-2-ylpyridin-2-one
PubChem CID82467021
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-amino-6-[2-(2-methylpropoxy)phenyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)COc1ccccc1-c1ccc(N)c(=O)n1C(C)C
InChIInChI=1S/C18H24N2O2/c1-12(2)11-22-17-8-6-5-7-14(17)16-10-9-15(19)18(21)20(16)13(3)4/h5-10,12-13H,11,19H2,1-4H3
InChIKeyXPVLCQWLJUFRKI-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2-methylpropyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one
CID 82467015
1-ethyl-3-(hydroxymethyl)-6-[2-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82518634
6-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 82519001
3-amino-6-(2-ethoxyphenyl)-1-(2-methoxyethyl)pyridin-2-one
CID 82466998
6-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonyl chloride
CID 82518988
3-[2-(2-methylpropoxy)phenyl]pyridine-2,6-diamine
CID 139370148
3-amino-1-cyclopropyl-6-(2-methoxyphenyl)pyridin-2-one
CID 82466975
5-[2-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid
CID 167136873
2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid
CID 82444166
methyl 5-(2-aminophenyl)-1-propan-2-ylpyrrole-2-carboxylate
CID 117222324
2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one
CID 137084101
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[2-(2-methylpropoxy)phenyl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-amino-6-[2-(2-methylpropoxy)phenyl]-1-propan-2-ylpyridin-2-one (CID 82467021) is 3-amino-6-[2-(2-methylpropoxy)phenyl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-amino-6-[2-(2-methylpropoxy)phenyl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-amino-6-[2-(2-methylpropoxy)phenyl]-1-propan-2-ylpyridin-2-one is CC(C)COc1ccccc1-c1ccc(N)c(=O)n1C(C)C.
What is the InChIKey of 3-amino-6-[2-(2-methylpropoxy)phenyl]-1-propan-2-ylpyridin-2-one?
The InChIKey is XPVLCQWLJUFRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12(2)11-22-17-8-6-5-7-14(17)16-10-9-15(19)18(21)20(16)13(3)4/h5-10,12-13H,11,19H2,1-4H3.
What are the key properties of 3-amino-6-[2-(2-methylpropoxy)phenyl]-1-propan-2-ylpyridin-2-one?
3-amino-6-[2-(2-methylpropoxy)phenyl]-1-propan-2-ylpyridin-2-one has a molecular weight of 300.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[2-(2-methylpropoxy)phenyl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82467021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).