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

C22H18N2O7 — CID 169407671

IUPAC2-amino-4-[2-(4-ethoxycarbonylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCCOC(=O)c1ccc(-c2ccccc2-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)cc1
InChIInChI=1S/C22H18N2O7/c1-2-31-22(30)12-9-7-11(8-10-12)13-5-3-4-6-14(13)15-16(20(26)27)18(23)24-19(25)17(15)21(28)29/h3-10H,2H2,1H3,(H,26,27)(H,28,29)(H3,23,24,25)
InChIKeyHZCMBVSEVOQILZ-UHFFFAOYSA-N
MW422.39 g/mol
LogP2.86
Rot. Bonds6

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

2-amino-4-[2-(4-ethoxycarbonylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169407671) has the molecular formula C22H18N2O7 and a molecular weight of 422.39 g/mol. Its IUPAC name is 2-amino-4-[2-(4-ethoxycarbonylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-[2-(4-ethoxycarbonylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169407671
Molecular FormulaC22H18N2O7
Molecular Weight422.39 g/mol
Exact Mass422.11
IUPAC Name2-amino-4-[2-(4-ethoxycarbonylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCCOC(=O)c1ccc(-c2ccccc2-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)cc1
InChIInChI=1S/C22H18N2O7/c1-2-31-22(30)12-9-7-11(8-10-12)13-5-3-4-6-14(13)15-16(20(26)27)18(23)24-19(25)17(15)21(28)29/h3-10H,2H2,1H3,(H,26,27)(H,28,29)(H3,23,24,25)
InChIKeyHZCMBVSEVOQILZ-UHFFFAOYSA-N
XLogP2.86
TPSA159.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-[4-(2-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405394
ethyl 4-[2-(2-phenyl-1H-indol-3-yl)phenyl]benzoate
CID 11441462
2-amino-4-(3-ethoxy-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405078
2-amino-4-[4-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406962
2-amino-4-(2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169404968
2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405271
2-amino-6-oxo-4-[2-(3-phenylmethoxyphenyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 169406099
2-amino-4-(2-ethoxycarbonyl-1-benzofuran-5-yl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407531
ethyl 4-(2-oxo-1H-pyridin-3-yl)benzoate
CID 53218078
2-amino-4-[3-(2-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405873
2-amino-4-[4-(2-chlorobenzoyl)oxy-3-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406781
2-amino-4-(3-methoxy-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405460

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(4-ethoxycarbonylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-[2-(4-ethoxycarbonylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169407671) is 2-amino-4-[2-(4-ethoxycarbonylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-[2-(4-ethoxycarbonylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-[2-(4-ethoxycarbonylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is CCOC(=O)c1ccc(-c2ccccc2-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)cc1.
What is the InChIKey of 2-amino-4-[2-(4-ethoxycarbonylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is HZCMBVSEVOQILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O7/c1-2-31-22(30)12-9-7-11(8-10-12)13-5-3-4-6-14(13)15-16(20(26)27)18(23)24-19(25)17(15)21(28)29/h3-10H,2H2,1H3,(H,26,27)(H,28,29)(H3,23,24,25).
What are the key properties of 2-amino-4-[2-(4-ethoxycarbonylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-[2-(4-ethoxycarbonylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 422.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(4-ethoxycarbonylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169407671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).