6-(4-aminophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid

C14H14N2O3 — CID 89421782

IUPAC6-(4-aminophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N)cc1
InChIInChI=1S/C14H14N2O3/c1-2-8-7-11(14(18)19)13(17)16-12(8)9-3-5-10(15)6-4-9/h3-7H,2,15H2,1H3,(H,16,17)(H,18,19)
InChIKeySOQDJTMZAAYOLY-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.88
Rot. Bonds3

About 6-(4-aminophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid

6-(4-aminophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 89421782) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-(4-aminophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-aminophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID89421782
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name6-(4-aminophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N)cc1
InChIInChI=1S/C14H14N2O3/c1-2-8-7-11(14(18)19)13(17)16-12(8)9-3-5-10(15)6-4-9/h3-7H,2,15H2,1H3,(H,16,17)(H,18,19)
InChIKeySOQDJTMZAAYOLY-UHFFFAOYSA-N
XLogP1.88
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281958
6-[4-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71282056
5-ethyl-2-oxo-6-(4-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid
CID 71281835
6-[4-[2-(dimethylamino)ethylamino]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281971
5-ethyl-2-oxo-6-[4-(3-oxo-2-azaspiro[4.5]decan-2-yl)phenyl]-1H-pyridine-3-carboxylic acid
CID 71281809
5-ethyl-4-hydroxy-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 158113496
5-ethyl-6-[4-[3-(methylaminomethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281867
6-[4-[(3aS,6aR)-5-(methylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 71284935
5-ethyl-6-[4-[2-(1-methoxyethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 123356510
5-ethyl-2-oxo-6-[4-(3-pyridin-4-ylpyrrolidin-1-yl)phenyl]-1H-pyridine-3-carboxylic acid
CID 71281895
6-[2-(diethylaminomethyl)imidazo[1,2-a]pyridin-6-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71292123
6-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 71281939

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-aminophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 89421782) is 6-(4-aminophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-aminophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-aminophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid is CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N)cc1.
What is the InChIKey of 6-(4-aminophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is SOQDJTMZAAYOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-8-7-11(14(18)19)13(17)16-12(8)9-3-5-10(15)6-4-9/h3-7H,2,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-(4-aminophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
6-(4-aminophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 89421782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).