1-[2-(4-butan-2-ylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid

C18H20N2O5 — CID 82108087

IUPAC1-[2-(4-butan-2-ylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid
SMILESCCC(C)c1ccc(NC(=O)COn2cccc(C(=O)O)c2=O)cc1
InChIInChI=1S/C18H20N2O5/c1-3-12(2)13-6-8-14(9-7-13)19-16(21)11-25-20-10-4-5-15(17(20)22)18(23)24/h4-10,12H,3,11H2,1-2H3,(H,19,21)(H,23,24)
InChIKeyGXCLLUUWCGCRGZ-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.13
Rot. Bonds7

About 1-[2-(4-butan-2-ylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid

1-[2-(4-butan-2-ylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid (PubChem CID 82108087) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-[2-(4-butan-2-ylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-butan-2-ylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid
PubChem CID82108087
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name1-[2-(4-butan-2-ylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid
SMILESCCC(C)c1ccc(NC(=O)COn2cccc(C(=O)O)c2=O)cc1
InChIInChI=1S/C18H20N2O5/c1-3-12(2)13-6-8-14(9-7-13)19-16(21)11-25-20-10-4-5-15(17(20)22)18(23)24/h4-10,12H,3,11H2,1-2H3,(H,19,21)(H,23,24)
InChIKeyGXCLLUUWCGCRGZ-UHFFFAOYSA-N
XLogP2.13
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-butan-2-ylanilino)-2-oxoethoxy]-2-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

2-oxo-1-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]pyridine-3-carboxylic acid
CID 82108083
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834192
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] naphthalene-1-carboxylate
CID 7785327
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833731
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2597820
[2-(4-butan-2-ylanilino)-2-oxoethyl] 2-(4-methylphenyl)benzoate
CID 3616999
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
CID 2384376
[2-(4-butan-2-ylanilino)-2-oxoethyl] 4-oxo-3-pentylphthalazine-1-carboxylate
CID 16543606
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226358
N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354346
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503716

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-butan-2-ylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-butan-2-ylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid (CID 82108087) is 1-[2-(4-butan-2-ylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-butan-2-ylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-butan-2-ylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid is CCC(C)c1ccc(NC(=O)COn2cccc(C(=O)O)c2=O)cc1.
What is the InChIKey of 1-[2-(4-butan-2-ylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid?
The InChIKey is GXCLLUUWCGCRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-3-12(2)13-6-8-14(9-7-13)19-16(21)11-25-20-10-4-5-15(17(20)22)18(23)24/h4-10,12H,3,11H2,1-2H3,(H,19,21)(H,23,24).
What are the key properties of 1-[2-(4-butan-2-ylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid?
1-[2-(4-butan-2-ylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-butan-2-ylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82108087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).