[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate

C17H18N2O4 — CID 2346545

IUPAC[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCC(C)c1ccc(NC(=O)COC(=O)c2ccc[nH]c2=O)cc1
InChIInChI=1S/C17H18N2O4/c1-11(2)12-5-7-13(8-6-12)19-15(20)10-23-17(22)14-4-3-9-18-16(14)21/h3-9,11H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyIZBJXFSQUOOYMA-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.29
Rot. Bonds5

About [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 2346545) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID2346545
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCC(C)c1ccc(NC(=O)COC(=O)c2ccc[nH]c2=O)cc1
InChIInChI=1S/C17H18N2O4/c1-11(2)12-5-7-13(8-6-12)19-15(20)10-23-17(22)14-4-3-9-18-16(14)21/h3-9,11H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyIZBJXFSQUOOYMA-UHFFFAOYSA-N
XLogP2.29
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2397406
Ethyl 4-(hexylamino)-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 658207
Ethyl 2-oxo-4-(pentylamino)-1,2-dihydroquinoline-3-carboxylate
CID 658249
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 2447905
1-O-ethyl 4-O-[2-(4-methylanilino)-2-oxoethyl] (E)-but-2-enedioate
CID 6370521
Ethyl 4-(butylamino)-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 652591
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2365041
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2439157
[2-oxo-2-(1-phenylethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 4408873
[2-(2-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 2100887
ethyl 4-(2-methylpropylamino)-2-oxo-1H-quinoline-3-carboxylate
CID 913285
[2-Oxo-2-(4-propan-2-ylanilino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2338196

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 2346545) is [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate is CC(C)c1ccc(NC(=O)COC(=O)c2ccc[nH]c2=O)cc1.
What is the InChIKey of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is IZBJXFSQUOOYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11(2)12-5-7-13(8-6-12)19-15(20)10-23-17(22)14-4-3-9-18-16(14)21/h3-9,11H,10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 314.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2346545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).