1-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid

C16H16N2O7 — CID 82108075

IUPAC1-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid
SMILESCOc1ccc(NC(=O)COn2cccc(C(=O)O)c2=O)cc1OC
InChIInChI=1S/C16H16N2O7/c1-23-12-6-5-10(8-13(12)24-2)17-14(19)9-25-18-7-3-4-11(15(18)20)16(21)22/h3-8H,9H2,1-2H3,(H,17,19)(H,21,22)
InChIKeyRKTXGFOVPSHKKC-UHFFFAOYSA-N
MW348.31 g/mol
LogP0.63
Rot. Bonds7

About 1-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid

1-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid (PubChem CID 82108075) has the molecular formula C16H16N2O7 and a molecular weight of 348.31 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid
PubChem CID82108075
Molecular FormulaC16H16N2O7
Molecular Weight348.31 g/mol
Exact Mass348.10
IUPAC Name1-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid
SMILESCOc1ccc(NC(=O)COn2cccc(C(=O)O)c2=O)cc1OC
InChIInChI=1S/C16H16N2O7/c1-23-12-6-5-10(8-13(12)24-2)17-14(19)9-25-18-7-3-4-11(15(18)20)16(21)22/h3-8H,9H2,1-2H3,(H,17,19)(H,21,22)
InChIKeyRKTXGFOVPSHKKC-UHFFFAOYSA-N
XLogP0.63
TPSA116.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-oxo-1-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]pyridine-3-carboxylic acid
CID 82108083
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-(3,4-dimethoxyphenyl)-2-pyrimidin-2-yloxyacetamide
CID 121086700
2-[2-(4-methoxy-3-propan-2-yloxyanilino)-2-oxoethyl]benzoic acid
CID 120552915
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2371288
N-(3,4-dimethoxyphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 22514418
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 2486593
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782633
[2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834231
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578358
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
1-[(4-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-2-oxopyridine-3-carboxamide
CID 1483550

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid (CID 82108075) is 1-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid is COc1ccc(NC(=O)COn2cccc(C(=O)O)c2=O)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid?
The InChIKey is RKTXGFOVPSHKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O7/c1-23-12-6-5-10(8-13(12)24-2)17-14(19)9-25-18-7-3-4-11(15(18)20)16(21)22/h3-8H,9H2,1-2H3,(H,17,19)(H,21,22).
What are the key properties of 1-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid?
1-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid has a molecular weight of 348.31 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82108075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).