1-(3-aminophenyl)-5-(4-methoxyphenyl)pyridin-2-one

C18H16N2O2 — CID 89122782

IUPAC1-(3-aminophenyl)-5-(4-methoxyphenyl)pyridin-2-one
SMILESCOc1ccc(-c2ccc(=O)n(-c3cccc(N)c3)c2)cc1
InChIInChI=1S/C18H16N2O2/c1-22-17-8-5-13(6-9-17)14-7-10-18(21)20(12-14)16-4-2-3-15(19)11-16/h2-12H,19H2,1H3
InChIKeyGOGHKXOUAITNSN-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.10
Rot. Bonds3

About 1-(3-aminophenyl)-5-(4-methoxyphenyl)pyridin-2-one

1-(3-aminophenyl)-5-(4-methoxyphenyl)pyridin-2-one (PubChem CID 89122782) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(3-aminophenyl)-5-(4-methoxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-aminophenyl)-5-(4-methoxyphenyl)pyridin-2-one
PubChem CID89122782
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name1-(3-aminophenyl)-5-(4-methoxyphenyl)pyridin-2-one
SMILESCOc1ccc(-c2ccc(=O)n(-c3cccc(N)c3)c2)cc1
InChIInChI=1S/C18H16N2O2/c1-22-17-8-5-13(6-9-17)14-7-10-18(21)20(12-14)16-4-2-3-15(19)11-16/h2-12H,19H2,1H3
InChIKeyGOGHKXOUAITNSN-UHFFFAOYSA-N
XLogP3.10
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-5-(4-methoxyphenyl)pyridin-2-one?
The IUPAC name of 1-(3-aminophenyl)-5-(4-methoxyphenyl)pyridin-2-one (CID 89122782) is 1-(3-aminophenyl)-5-(4-methoxyphenyl)pyridin-2-one.
What is the SMILES notation for 1-(3-aminophenyl)-5-(4-methoxyphenyl)pyridin-2-one?
The canonical SMILES for 1-(3-aminophenyl)-5-(4-methoxyphenyl)pyridin-2-one is COc1ccc(-c2ccc(=O)n(-c3cccc(N)c3)c2)cc1.
What is the InChIKey of 1-(3-aminophenyl)-5-(4-methoxyphenyl)pyridin-2-one?
The InChIKey is GOGHKXOUAITNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-22-17-8-5-13(6-9-17)14-7-10-18(21)20(12-14)16-4-2-3-15(19)11-16/h2-12H,19H2,1H3.
What are the key properties of 1-(3-aminophenyl)-5-(4-methoxyphenyl)pyridin-2-one?
1-(3-aminophenyl)-5-(4-methoxyphenyl)pyridin-2-one has a molecular weight of 292.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-5-(4-methoxyphenyl)pyridin-2-one is sourced from PubChem (CID 89122782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).