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

C14H16N2O2 — CID 82467053

IUPAC3-amino-6-(3-propan-2-yloxyphenyl)-1H-pyridin-2-one
SMILESCC(C)Oc1cccc(-c2ccc(N)c(=O)[nH]2)c1
InChIInChI=1S/C14H16N2O2/c1-9(2)18-11-5-3-4-10(8-11)13-7-6-12(15)14(17)16-13/h3-9H,15H2,1-2H3,(H,16,17)
InChIKeyKUHBJRLVRLMIDT-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.41
Rot. Bonds3

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

3-amino-6-(3-propan-2-yloxyphenyl)-1H-pyridin-2-one (PubChem CID 82467053) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-amino-6-(3-propan-2-yloxyphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-6-(3-propan-2-yloxyphenyl)-1H-pyridin-2-one
PubChem CID82467053
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-amino-6-(3-propan-2-yloxyphenyl)-1H-pyridin-2-one
SMILESCC(C)Oc1cccc(-c2ccc(N)c(=O)[nH]2)c1
InChIInChI=1S/C14H16N2O2/c1-9(2)18-11-5-3-4-10(8-11)13-7-6-12(15)14(17)16-13/h3-9H,15H2,1-2H3,(H,16,17)
InChIKeyKUHBJRLVRLMIDT-UHFFFAOYSA-N
XLogP2.41
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-6-(3-chlorophenyl)-1H-pyridin-2-one
CID 105476832
3-amino-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82098987
5-bromo-4-hydroxy-2-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one
CID 66313092
3-methyl-5-(3-propan-2-yloxyphenyl)aniline
CID 107579616
2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one
CID 136769566
3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one
CID 82518417
ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490254
4-(3-propan-2-yloxyphenyl)benzenethiol
CID 91656133
1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
CID 45242567
2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid
CID 54850447
4-chloro-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine
CID 83240232
2-oxo-6-(3-propoxyphenyl)-1H-pyridine-3-carbohydrazide
CID 82518239

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-propan-2-yloxyphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-amino-6-(3-propan-2-yloxyphenyl)-1H-pyridin-2-one (CID 82467053) is 3-amino-6-(3-propan-2-yloxyphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-6-(3-propan-2-yloxyphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-amino-6-(3-propan-2-yloxyphenyl)-1H-pyridin-2-one is CC(C)Oc1cccc(-c2ccc(N)c(=O)[nH]2)c1.
What is the InChIKey of 3-amino-6-(3-propan-2-yloxyphenyl)-1H-pyridin-2-one?
The InChIKey is KUHBJRLVRLMIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(2)18-11-5-3-4-10(8-11)13-7-6-12(15)14(17)16-13/h3-9H,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-6-(3-propan-2-yloxyphenyl)-1H-pyridin-2-one?
3-amino-6-(3-propan-2-yloxyphenyl)-1H-pyridin-2-one has a molecular weight of 244.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-propan-2-yloxyphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 82467053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).