2-oxo-1-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]pyridine-3-carboxylic acid

C17H18N2O5 — CID 82108083

IUPAC2-oxo-1-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]pyridine-3-carboxylic acid
SMILESCC(C)c1ccc(NC(=O)COn2cccc(C(=O)O)c2=O)cc1
InChIInChI=1S/C17H18N2O5/c1-11(2)12-5-7-13(8-6-12)18-15(20)10-24-19-9-3-4-14(16(19)21)17(22)23/h3-9,11H,10H2,1-2H3,(H,18,20)(H,22,23)
InChIKeyDECNMFCKTKKIIX-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.74
Rot. Bonds6

About 2-oxo-1-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]pyridine-3-carboxylic acid

2-oxo-1-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]pyridine-3-carboxylic acid (PubChem CID 82108083) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-oxo-1-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]pyridine-3-carboxylic acid
PubChem CID82108083
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name2-oxo-1-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]pyridine-3-carboxylic acid
SMILESCC(C)c1ccc(NC(=O)COn2cccc(C(=O)O)c2=O)cc1
InChIInChI=1S/C17H18N2O5/c1-11(2)12-5-7-13(8-6-12)18-15(20)10-24-19-9-3-4-14(16(19)21)17(22)23/h3-9,11H,10H2,1-2H3,(H,18,20)(H,22,23)
InChIKeyDECNMFCKTKKIIX-UHFFFAOYSA-N
XLogP1.74
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-butan-2-ylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid
CID 82108087
2-(2-acetylphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7859306
1-methoxy-2-oxopyridine-3-carboxylic acid
CID 90711575
2-[(2-methylpropan-2-yl)oxy]-N-(4-propan-2-ylphenyl)acetamide
CID 112604884
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,3-dimethylbenzoate
CID 7765240
1-[3-oxo-3-(4-propan-2-ylanilino)propyl]pyrazole-3-carboxylic acid
CID 19470585
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-phenoxybenzoate
CID 7760857
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-phenylcyclopropane-1-carboxylate
CID 8587838
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107975
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9066622

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]pyridine-3-carboxylic acid?
The IUPAC name of 2-oxo-1-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]pyridine-3-carboxylic acid (CID 82108083) is 2-oxo-1-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-1-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 2-oxo-1-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]pyridine-3-carboxylic acid is CC(C)c1ccc(NC(=O)COn2cccc(C(=O)O)c2=O)cc1.
What is the InChIKey of 2-oxo-1-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]pyridine-3-carboxylic acid?
The InChIKey is DECNMFCKTKKIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-11(2)12-5-7-13(8-6-12)18-15(20)10-24-19-9-3-4-14(16(19)21)17(22)23/h3-9,11H,10H2,1-2H3,(H,18,20)(H,22,23).
What are the key properties of 2-oxo-1-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]pyridine-3-carboxylic acid?
2-oxo-1-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]pyridine-3-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 82108083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).