2-amino-4-[3-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid

C21H18N2O5 — CID 169405745

IUPAC2-amino-4-[3-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCCc1ccc(-c2cccc(-c3c(C(=O)O)c(N)[nH]c(=O)c3C(=O)O)c2)cc1
InChIInChI=1S/C21H18N2O5/c1-2-11-6-8-12(9-7-11)13-4-3-5-14(10-13)15-16(20(25)26)18(22)23-19(24)17(15)21(27)28/h3-10H,2H2,1H3,(H,25,26)(H,27,28)(H3,22,23,24)
InChIKeyZTVGQIBHVQTNII-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.25
Rot. Bonds5

About 2-amino-4-[3-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid

2-amino-4-[3-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169405745) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-amino-4-[3-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-[3-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169405745
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name2-amino-4-[3-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCCc1ccc(-c2cccc(-c3c(C(=O)O)c(N)[nH]c(=O)c3C(=O)O)c2)cc1
InChIInChI=1S/C21H18N2O5/c1-2-11-6-8-12(9-7-11)13-4-3-5-14(10-13)15-16(20(25)26)18(22)23-19(24)17(15)21(27)28/h3-10H,2H2,1H3,(H,25,26)(H,27,28)(H3,22,23,24)
InChIKeyZTVGQIBHVQTNII-UHFFFAOYSA-N
XLogP3.25
TPSA133.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[4-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406962
2-amino-4-[3-(4-methylsulfanylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405898
2-amino-4-[3-(3-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405860
2-amino-6-oxo-4-(4-propylphenyl)-1H-pyridine-3,5-dicarboxylic acid
CID 169405392
2-amino-6-oxo-4-(3-pyridin-3-ylphenyl)-1H-pyridine-3,5-dicarboxylic acid
CID 169405410
2-amino-6-oxo-4-(4-pentylphenyl)-1H-pyridine-3,5-dicarboxylic acid
CID 169406597
2-amino-6-oxo-4-[3-(pentoxymethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 169405581
2-amino-4-[3-(2-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405873
2-amino-4-[3-[[bis(2-methylpropyl)amino]methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405672
2-amino-4-[3-(carboxymethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406614
2-amino-4-(3-chloro-4-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405280
2-amino-4-(2-ethoxycarbonyl-1-benzofuran-5-yl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407531

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-[3-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169405745) is 2-amino-4-[3-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-[3-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-[3-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is CCc1ccc(-c2cccc(-c3c(C(=O)O)c(N)[nH]c(=O)c3C(=O)O)c2)cc1.
What is the InChIKey of 2-amino-4-[3-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is ZTVGQIBHVQTNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-2-11-6-8-12(9-7-11)13-4-3-5-14(10-13)15-16(20(25)26)18(22)23-19(24)17(15)21(27)28/h3-10H,2H2,1H3,(H,25,26)(H,27,28)(H3,22,23,24).
What are the key properties of 2-amino-4-[3-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-[3-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 378.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169405745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).