3-amino-1-(2-methylpropyl)-6-(3-propoxyphenyl)pyridin-2-one

C18H24N2O2 — CID 82467070

IUPAC3-amino-1-(2-methylpropyl)-6-(3-propoxyphenyl)pyridin-2-one
SMILESCCCOc1cccc(-c2ccc(N)c(=O)n2CC(C)C)c1
InChIInChI=1S/C18H24N2O2/c1-4-10-22-15-7-5-6-14(11-15)17-9-8-16(19)18(21)20(17)12-13(2)3/h5-9,11,13H,4,10,12,19H2,1-3H3
InChIKeyAKHPACDWMDPMIU-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.54
Rot. Bonds6

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

3-amino-1-(2-methylpropyl)-6-(3-propoxyphenyl)pyridin-2-one (PubChem CID 82467070) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-amino-1-(2-methylpropyl)-6-(3-propoxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(2-methylpropyl)-6-(3-propoxyphenyl)pyridin-2-one
PubChem CID82467070
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-amino-1-(2-methylpropyl)-6-(3-propoxyphenyl)pyridin-2-one
SMILESCCCOc1cccc(-c2ccc(N)c(=O)n2CC(C)C)c1
InChIInChI=1S/C18H24N2O2/c1-4-10-22-15-7-5-6-14(11-15)17-9-8-16(19)18(21)20(17)12-13(2)3/h5-9,11,13H,4,10,12,19H2,1-3H3
InChIKeyAKHPACDWMDPMIU-UHFFFAOYSA-N
XLogP3.54
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-amino-6-(3-ethoxyphenyl)-1-ethylpyridin-2-one
CID 82467041
3-amino-6-(4-ethoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
CID 82467100
1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile
CID 82518218
2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile
CID 82518204
2-methyl-6-(3-propoxyphenyl)pyridin-3-amine
CID 82467694
3-amino-1-ethyl-6-(3-hydroxyphenyl)pyridin-2-one
CID 105487975
3-amino-1-(2-methylpropyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one
CID 82467015
6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
CID 82518322
3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
CID 82518553
2-methyl-5-(3-propoxyphenyl)-3-propylimidazol-4-amine
CID 62496137
3-(1-aminoethyl)-1-methyl-6-[3-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82518171
ethane;1-(3-methylbutoxy)-3-propoxybenzene
CID 170603501

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methylpropyl)-6-(3-propoxyphenyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(2-methylpropyl)-6-(3-propoxyphenyl)pyridin-2-one (CID 82467070) is 3-amino-1-(2-methylpropyl)-6-(3-propoxyphenyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(2-methylpropyl)-6-(3-propoxyphenyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(2-methylpropyl)-6-(3-propoxyphenyl)pyridin-2-one is CCCOc1cccc(-c2ccc(N)c(=O)n2CC(C)C)c1.
What is the InChIKey of 3-amino-1-(2-methylpropyl)-6-(3-propoxyphenyl)pyridin-2-one?
The InChIKey is AKHPACDWMDPMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-4-10-22-15-7-5-6-14(11-15)17-9-8-16(19)18(21)20(17)12-13(2)3/h5-9,11,13H,4,10,12,19H2,1-3H3.
What are the key properties of 3-amino-1-(2-methylpropyl)-6-(3-propoxyphenyl)pyridin-2-one?
3-amino-1-(2-methylpropyl)-6-(3-propoxyphenyl)pyridin-2-one has a molecular weight of 300.40 g/mol, XLogP of 3.54, 6 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-(3-propoxyphenyl)pyridin-2-one is sourced from PubChem (CID 82467070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).