1-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-6-oxopyridine-3-carboxylic acid

C15H13ClN2O5 — CID 82108213

IUPAC1-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-6-oxopyridine-3-carboxylic acid
SMILESCc1ccc(NC(=O)COn2cc(C(=O)O)ccc2=O)c(Cl)c1
InChIInChI=1S/C15H13ClN2O5/c1-9-2-4-12(11(16)6-9)17-13(19)8-23-18-7-10(15(21)22)3-5-14(18)20/h2-7H,8H2,1H3,(H,17,19)(H,21,22)
InChIKeyGNSQGOIBPPWWOR-UHFFFAOYSA-N
MW336.73 g/mol
LogP1.58
Rot. Bonds5

About 1-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-6-oxopyridine-3-carboxylic acid

1-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-6-oxopyridine-3-carboxylic acid (PubChem CID 82108213) has the molecular formula C15H13ClN2O5 and a molecular weight of 336.73 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-6-oxopyridine-3-carboxylic acid
PubChem CID82108213
Molecular FormulaC15H13ClN2O5
Molecular Weight336.73 g/mol
Exact Mass336.05
IUPAC Name1-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-6-oxopyridine-3-carboxylic acid
SMILESCc1ccc(NC(=O)COn2cc(C(=O)O)ccc2=O)c(Cl)c1
InChIInChI=1S/C15H13ClN2O5/c1-9-2-4-12(11(16)6-9)17-13(19)8-23-18-7-10(15(21)22)3-5-14(18)20/h2-7H,8H2,1H3,(H,17,19)(H,21,22)
InChIKeyGNSQGOIBPPWWOR-UHFFFAOYSA-N
XLogP1.58
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-6-oxopyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-methoxyanilino)-2-oxoethoxy]-6-oxopyridine-3-carboxylic acid
CID 82108142
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7694345
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998914
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
3-chloro-4-[(2-hydroxyacetyl)amino]benzoic acid
CID 70643359
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-fluorobenzoate
CID 8612544
N-(2-chloro-4-methylphenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23609008
2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263865
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8703385
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131031
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2507011
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2540932

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-6-oxopyridine-3-carboxylic acid (CID 82108213) is 1-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-6-oxopyridine-3-carboxylic acid is Cc1ccc(NC(=O)COn2cc(C(=O)O)ccc2=O)c(Cl)c1.
What is the InChIKey of 1-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-6-oxopyridine-3-carboxylic acid?
The InChIKey is GNSQGOIBPPWWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O5/c1-9-2-4-12(11(16)6-9)17-13(19)8-23-18-7-10(15(21)22)3-5-14(18)20/h2-7H,8H2,1H3,(H,17,19)(H,21,22).
What are the key properties of 1-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-6-oxopyridine-3-carboxylic acid?
1-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-6-oxopyridine-3-carboxylic acid has a molecular weight of 336.73 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82108213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).