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

C19H14N2O9 — CID 169406860

IUPAC2-amino-4-[3-[(5-carboxyfuran-2-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2cccc(OCc3ccc(C(=O)O)o3)c2)c1C(=O)O
InChIInChI=1S/C19H14N2O9/c20-15-13(18(25)26)12(14(19(27)28)16(22)21-15)8-2-1-3-9(6-8)29-7-10-4-5-11(30-10)17(23)24/h1-6H,7H2,(H,23,24)(H,25,26)(H,27,28)(H3,20,21,22)
InChIKeyZRFRTFHDZLNLLQ-UHFFFAOYSA-N
MW414.33 g/mol
LogP1.89
Rot. Bonds7

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

2-amino-4-[3-[(5-carboxyfuran-2-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169406860) has the molecular formula C19H14N2O9 and a molecular weight of 414.33 g/mol. Its IUPAC name is 2-amino-4-[3-[(5-carboxyfuran-2-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-[3-[(5-carboxyfuran-2-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169406860
Molecular FormulaC19H14N2O9
Molecular Weight414.33 g/mol
Exact Mass414.07
IUPAC Name2-amino-4-[3-[(5-carboxyfuran-2-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2cccc(OCc3ccc(C(=O)O)o3)c2)c1C(=O)O
InChIInChI=1S/C19H14N2O9/c20-15-13(18(25)26)12(14(19(27)28)16(22)21-15)8-2-1-3-9(6-8)29-7-10-4-5-11(30-10)17(23)24/h1-6H,7H2,(H,23,24)(H,25,26)(H,27,28)(H3,20,21,22)
InChIKeyZRFRTFHDZLNLLQ-UHFFFAOYSA-N
XLogP1.89
TPSA193.15 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.33
LogP ≤ 51.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-4-[3-(carboxymethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406614
2-amino-6-oxo-4-[2-(3-phenylmethoxyphenyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 169406099
2-amino-4-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406404
2-amino-4-[3-(4-fluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406259
2-amino-4-[3-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405745
5-[[3-(1H-benzimidazol-2-yl)phenoxy]methyl]furan-2-carboxylic acid
CID 168554863
2-amino-4-[3-[(3-nitropyrazol-1-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407119
5-[(3-methanehydrazonoylphenoxy)methyl]furan-2-carboxylic acid
CID 168530565
5-[[3-(2-aminoethylamino)phenoxy]methyl]furan-2-carboxylic acid
CID 117097680
2-amino-4-[3-(3-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405860
2-amino-6-oxo-4-[3-(pentoxymethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 169405581
2-amino-4-[3-(2,4-dinitrophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406905

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-[(5-carboxyfuran-2-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-[3-[(5-carboxyfuran-2-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169406860) is 2-amino-4-[3-[(5-carboxyfuran-2-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-[3-[(5-carboxyfuran-2-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-[3-[(5-carboxyfuran-2-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is Nc1[nH]c(=O)c(C(=O)O)c(-c2cccc(OCc3ccc(C(=O)O)o3)c2)c1C(=O)O.
What is the InChIKey of 2-amino-4-[3-[(5-carboxyfuran-2-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is ZRFRTFHDZLNLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O9/c20-15-13(18(25)26)12(14(19(27)28)16(22)21-15)8-2-1-3-9(6-8)29-7-10-4-5-11(30-10)17(23)24/h1-6H,7H2,(H,23,24)(H,25,26)(H,27,28)(H3,20,21,22).
What are the key properties of 2-amino-4-[3-[(5-carboxyfuran-2-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-[3-[(5-carboxyfuran-2-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 414.33 g/mol, XLogP of 1.89, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-[(5-carboxyfuran-2-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169406860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).