[2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate

C11H14N2O4 — CID 2555089

IUPAC[2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCCCNC(=O)COC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C11H14N2O4/c1-2-5-12-9(14)7-17-11(16)8-4-3-6-13-10(8)15/h3-4,6H,2,5,7H2,1H3,(H,12,14)(H,13,15)
InChIKeyUCUWFPMROPJSMR-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.06
Rot. Bonds5

About [2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 2555089) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is [2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID2555089
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name[2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCCCNC(=O)COC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C11H14N2O4/c1-2-5-12-9(14)7-17-11(16)8-4-3-6-13-10(8)15/h3-4,6H,2,5,7H2,1H3,(H,12,14)(H,13,15)
InChIKeyUCUWFPMROPJSMR-UHFFFAOYSA-N
XLogP0.06
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2346594
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2549602
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 9344823
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2423105
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786755
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2507310
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786670
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8785919
[2-(4-tert-butylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2350817
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786666
[2-(4-iodoanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2379470
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2411097

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 2555089) is [2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate is CCCNC(=O)COC(=O)c1ccc[nH]c1=O.
What is the InChIKey of [2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is UCUWFPMROPJSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-5-12-9(14)7-17-11(16)8-4-3-6-13-10(8)15/h3-4,6H,2,5,7H2,1H3,(H,12,14)(H,13,15).
What are the key properties of [2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 238.24 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2555089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).