[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate

C17H16N2O4 — CID 7477357

IUPAC[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccccn2)cc1
InChIInChI=1S/C17H16N2O4/c1-2-16(21)19-13-8-6-12(7-9-13)15(20)11-23-17(22)14-5-3-4-10-18-14/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyVHHMSXIXQPMWRK-UHFFFAOYSA-N
MW312.32 g/mol
LogP2.47
Rot. Bonds6

About [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate (PubChem CID 7477357) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate
PubChem CID7477357
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccccn2)cc1
InChIInChI=1S/C17H16N2O4/c1-2-16(21)19-13-8-6-12(7-9-13)15(20)11-23-17(22)14-5-3-4-10-18-14/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyVHHMSXIXQPMWRK-UHFFFAOYSA-N
XLogP2.47
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(hexanoylamino)phenyl]-2-oxoethyl] pyridine-2-carboxylate
CID 7477362
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641393
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 38909124
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate
CID 7971864
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30885928
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate
CID 7229145
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] pyridine-2-carboxylate
CID 16539849
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate
CID 7782413
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] pyridine-2-carboxylate
CID 7866583
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-ethoxyacetate
CID 8709346
propyl 4-(pyridine-2-carbonylamino)benzoate
CID 17353106
(2-naphthalen-1-yl-2-oxoethyl) 4-(propanoylamino)benzoate
CID 1218309

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate?
The IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate (CID 7477357) is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate is CCC(=O)Nc1ccc(C(=O)COC(=O)c2ccccn2)cc1.
What is the InChIKey of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate?
The InChIKey is VHHMSXIXQPMWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-2-16(21)19-13-8-6-12(7-9-13)15(20)11-23-17(22)14-5-3-4-10-18-14/h3-10H,2,11H2,1H3,(H,19,21).
What are the key properties of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate?
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate has a molecular weight of 312.32 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate is sourced from PubChem (CID 7477357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).