2-amino-4-(3-ethoxy-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid

C15H14N2O7 — CID 169405078

IUPAC2-amino-4-(3-ethoxy-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCCOc1cccc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c1O
InChIInChI=1S/C15H14N2O7/c1-2-24-7-5-3-4-6(11(7)18)8-9(14(20)21)12(16)17-13(19)10(8)15(22)23/h3-5,18H,2H2,1H3,(H,20,21)(H,22,23)(H3,16,17,19)
InChIKeyZAXMORCLZWCQLN-UHFFFAOYSA-N
MW334.28 g/mol
LogP1.12
Rot. Bonds5

About 2-amino-4-(3-ethoxy-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid

2-amino-4-(3-ethoxy-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169405078) has the molecular formula C15H14N2O7 and a molecular weight of 334.28 g/mol. Its IUPAC name is 2-amino-4-(3-ethoxy-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-(3-ethoxy-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169405078
Molecular FormulaC15H14N2O7
Molecular Weight334.28 g/mol
Exact Mass334.08
IUPAC Name2-amino-4-(3-ethoxy-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCCOc1cccc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c1O
InChIInChI=1S/C15H14N2O7/c1-2-24-7-5-3-4-6(11(7)18)8-9(14(20)21)12(16)17-13(19)10(8)15(22)23/h3-5,18H,2H2,1H3,(H,20,21)(H,22,23)(H3,16,17,19)
InChIKeyZAXMORCLZWCQLN-UHFFFAOYSA-N
XLogP1.12
TPSA162.94 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 51.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405540
2-amino-4-(3-methoxy-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405460
2-amino-4-(2-bromo-5-ethoxy-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405383
2-amino-4-[2-[2-(dimethylamino)ethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406692
2-amino-4-[2-[(4-chlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406089
2-amino-4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406547
2-amino-4-(2-bromo-4-butoxy-5-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407046
2-amino-4-(2,3-dibromo-5-ethoxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407064
2-amino-4-[2-[3-(dimethylamino)propoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406554
2-amino-4-[2-(4-ethoxycarbonylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407671
2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405271
2-amino-4-(2-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406525

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-ethoxy-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-(3-ethoxy-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169405078) is 2-amino-4-(3-ethoxy-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-(3-ethoxy-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-(3-ethoxy-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is CCOc1cccc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c1O.
What is the InChIKey of 2-amino-4-(3-ethoxy-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is ZAXMORCLZWCQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O7/c1-2-24-7-5-3-4-6(11(7)18)8-9(14(20)21)12(16)17-13(19)10(8)15(22)23/h3-5,18H,2H2,1H3,(H,20,21)(H,22,23)(H3,16,17,19).
What are the key properties of 2-amino-4-(3-ethoxy-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-(3-ethoxy-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 334.28 g/mol, XLogP of 1.12, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-ethoxy-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169405078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).