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

C25H23N3O10 — CID 169407179

IUPAC2-amino-4-[3-ethoxy-4-[2-(2-methoxycarbonylanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCCOc1cc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)ccc1OCC(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C25H23N3O10/c1-3-37-16-10-12(18-19(23(31)32)21(26)28-22(30)20(18)24(33)34)8-9-15(16)38-11-17(29)27-14-7-5-4-6-13(14)25(35)36-2/h4-10H,3,11H2,1-2H3,(H,27,29)(H,31,32)(H,33,34)(H3,26,28,30)
InChIKeyYJWPIMMSXWYOTM-UHFFFAOYSA-N
MW525.47 g/mol
LogP2.22
Rot. Bonds10

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

2-amino-4-[3-ethoxy-4-[2-(2-methoxycarbonylanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169407179) has the molecular formula C25H23N3O10 and a molecular weight of 525.47 g/mol. Its IUPAC name is 2-amino-4-[3-ethoxy-4-[2-(2-methoxycarbonylanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-[3-ethoxy-4-[2-(2-methoxycarbonylanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169407179
Molecular FormulaC25H23N3O10
Molecular Weight525.47 g/mol
Exact Mass525.14
IUPAC Name2-amino-4-[3-ethoxy-4-[2-(2-methoxycarbonylanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCCOc1cc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)ccc1OCC(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C25H23N3O10/c1-3-37-16-10-12(18-19(23(31)32)21(26)28-22(30)20(18)24(33)34)8-9-15(16)38-11-17(29)27-14-7-5-4-6-13(14)25(35)36-2/h4-10H,3,11H2,1-2H3,(H,27,29)(H,31,32)(H,33,34)(H3,26,28,30)
InChIKeyYJWPIMMSXWYOTM-UHFFFAOYSA-N
XLogP2.22
TPSA207.34 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.47
LogP ≤ 52.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 2-amino-4-[3-ethoxy-4-[2-(2-methoxycarbonylanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid with MolForge

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Related Compounds

2-amino-4-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406033
2-amino-4-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407000
2-amino-4-[4-(2-chlorobenzoyl)oxy-3-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406781
2-amino-4-[4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406136
2-amino-4-[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407104
2-amino-4-[3-ethoxy-4-(3-methylbutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406832
2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
CID 169395195
2-amino-4-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405990
methyl 2-[[2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-ethoxyphenoxy]acetyl]amino]benzoate
CID 168591929
2-amino-4-[3-bromo-5-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407033
ethyl 2-[[2-(2-chloro-4-phenylphenoxy)acetyl]amino]benzoate
CID 7653195
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-ethoxy-4-[2-(2-methoxycarbonylanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-[3-ethoxy-4-[2-(2-methoxycarbonylanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169407179) is 2-amino-4-[3-ethoxy-4-[2-(2-methoxycarbonylanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-[3-ethoxy-4-[2-(2-methoxycarbonylanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-[3-ethoxy-4-[2-(2-methoxycarbonylanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is CCOc1cc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)ccc1OCC(=O)Nc1ccccc1C(=O)OC.
What is the InChIKey of 2-amino-4-[3-ethoxy-4-[2-(2-methoxycarbonylanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is YJWPIMMSXWYOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O10/c1-3-37-16-10-12(18-19(23(31)32)21(26)28-22(30)20(18)24(33)34)8-9-15(16)38-11-17(29)27-14-7-5-4-6-13(14)25(35)36-2/h4-10H,3,11H2,1-2H3,(H,27,29)(H,31,32)(H,33,34)(H3,26,28,30).
What are the key properties of 2-amino-4-[3-ethoxy-4-[2-(2-methoxycarbonylanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-[3-ethoxy-4-[2-(2-methoxycarbonylanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 525.47 g/mol, XLogP of 2.22, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-ethoxy-4-[2-(2-methoxycarbonylanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169407179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).