6-[4-[(2-ethoxy-2-oxoacetyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid

C16H14N2O6 — CID 20551280

IUPAC6-[4-[(2-ethoxy-2-oxoacetyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCOC(=O)C(=O)Nc1ccc(-c2ccc(C(=O)O)c(=O)[nH]2)cc1
InChIInChI=1S/C16H14N2O6/c1-2-24-16(23)14(20)17-10-5-3-9(4-6-10)12-8-7-11(15(21)22)13(19)18-12/h3-8H,2H2,1H3,(H,17,20)(H,18,19)(H,21,22)
InChIKeyDVPVPWBZRFBKGM-UHFFFAOYSA-N
MW330.30 g/mol
LogP1.24
Rot. Bonds4

About 6-[4-[(2-ethoxy-2-oxoacetyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid

6-[4-[(2-ethoxy-2-oxoacetyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 20551280) has the molecular formula C16H14N2O6 and a molecular weight of 330.30 g/mol. Its IUPAC name is 6-[4-[(2-ethoxy-2-oxoacetyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[(2-ethoxy-2-oxoacetyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID20551280
Molecular FormulaC16H14N2O6
Molecular Weight330.30 g/mol
Exact Mass330.09
IUPAC Name6-[4-[(2-ethoxy-2-oxoacetyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCOC(=O)C(=O)Nc1ccc(-c2ccc(C(=O)O)c(=O)[nH]2)cc1
InChIInChI=1S/C16H14N2O6/c1-2-24-16(23)14(20)17-10-5-3-9(4-6-10)12-8-7-11(15(21)22)13(19)18-12/h3-8H,2H2,1H3,(H,17,20)(H,18,19)(H,21,22)
InChIKeyDVPVPWBZRFBKGM-UHFFFAOYSA-N
XLogP1.24
TPSA125.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497881
ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490237
ethyl 2-oxo-2-(4-pyridin-4-ylanilino)acetate
CID 110461558
ethyl 2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoacetate
CID 25284248
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010
2-oxo-6-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyridine-3-carboxylic acid
CID 20552279
ethyl 2-(3-chloro-4-methylanilino)-2-oxoacetate
CID 3368368
2-oxo-6-phenyl-N-(4-propylphenyl)-1H-pyridine-3-carboxamide
CID 112830494
ethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid
CID 91141021
methyl 4-[(2-ethoxy-2-oxoacetyl)amino]benzoate
CID 2880570
butyl 4-[(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)amino]benzoate
CID 66497900
ethyl 2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate
CID 53304199

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-ethoxy-2-oxoacetyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-[(2-ethoxy-2-oxoacetyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 20551280) is 6-[4-[(2-ethoxy-2-oxoacetyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[(2-ethoxy-2-oxoacetyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-[(2-ethoxy-2-oxoacetyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid is CCOC(=O)C(=O)Nc1ccc(-c2ccc(C(=O)O)c(=O)[nH]2)cc1.
What is the InChIKey of 6-[4-[(2-ethoxy-2-oxoacetyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is DVPVPWBZRFBKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6/c1-2-24-16(23)14(20)17-10-5-3-9(4-6-10)12-8-7-11(15(21)22)13(19)18-12/h3-8H,2H2,1H3,(H,17,20)(H,18,19)(H,21,22).
What are the key properties of 6-[4-[(2-ethoxy-2-oxoacetyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid?
6-[4-[(2-ethoxy-2-oxoacetyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 330.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-ethoxy-2-oxoacetyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 20551280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).