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

C20H16N2O6 — CID 169405873

IUPAC2-amino-4-[3-(2-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCOc1ccccc1-c1cccc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c1
InChIInChI=1S/C20H16N2O6/c1-28-13-8-3-2-7-12(13)10-5-4-6-11(9-10)14-15(19(24)25)17(21)22-18(23)16(14)20(26)27/h2-9H,1H3,(H,24,25)(H,26,27)(H3,21,22,23)
InChIKeyUODKXKSGSUWDQZ-UHFFFAOYSA-N
MW380.36 g/mol
LogP2.70
Rot. Bonds5

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

2-amino-4-[3-(2-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169405873) has the molecular formula C20H16N2O6 and a molecular weight of 380.36 g/mol. Its IUPAC name is 2-amino-4-[3-(2-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-[3-(2-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169405873
Molecular FormulaC20H16N2O6
Molecular Weight380.36 g/mol
Exact Mass380.10
IUPAC Name2-amino-4-[3-(2-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCOc1ccccc1-c1cccc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c1
InChIInChI=1S/C20H16N2O6/c1-28-13-8-3-2-7-12(13)10-5-4-6-11(9-10)14-15(19(24)25)17(21)22-18(23)16(14)20(26)27/h2-9H,1H3,(H,24,25)(H,26,27)(H3,21,22,23)
InChIKeyUODKXKSGSUWDQZ-UHFFFAOYSA-N
XLogP2.70
TPSA142.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(4-iodo-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407868
2-amino-4-[3-(3-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405860
2-amino-4-(3-methoxy-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405460
2-amino-4-[3-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405745
2-amino-4-[3-(4-methylsulfanylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405898
2-amino-6-oxo-4-[2-(3-phenylmethoxyphenyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 169406099
2-amino-4-[4-(2-chlorobenzoyl)oxy-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406640
2-amino-4-[3-(4-fluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406259
2-amino-4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406547
2-amino-6-oxo-4-(3-pyridin-3-ylphenyl)-1H-pyridine-3,5-dicarboxylic acid
CID 169405410
2-amino-4-[2-[3-(dimethylamino)propoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406554
2-amino-4-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406396

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(2-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-[3-(2-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169405873) is 2-amino-4-[3-(2-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-[3-(2-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-[3-(2-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is COc1ccccc1-c1cccc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c1.
What is the InChIKey of 2-amino-4-[3-(2-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is UODKXKSGSUWDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O6/c1-28-13-8-3-2-7-12(13)10-5-4-6-11(9-10)14-15(19(24)25)17(21)22-18(23)16(14)20(26)27/h2-9H,1H3,(H,24,25)(H,26,27)(H3,21,22,23).
What are the key properties of 2-amino-4-[3-(2-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-[3-(2-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 380.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(2-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169405873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).