[2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate

C17H17N3O5 — CID 7702335

IUPAC[2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate
SMILESCCCOC(=O)c1ccc(NC(=O)COC(=O)c2cnccn2)cc1
InChIInChI=1S/C17H17N3O5/c1-2-9-24-16(22)12-3-5-13(6-4-12)20-15(21)11-25-17(23)14-10-18-7-8-19-14/h3-8,10H,2,9,11H2,1H3,(H,20,21)
InChIKeyKREWKPKKNXVJGJ-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.84
Rot. Bonds7

About [2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate

[2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate (PubChem CID 7702335) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is [2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate
PubChem CID7702335
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name[2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate
SMILESCCCOC(=O)c1ccc(NC(=O)COC(=O)c2cnccn2)cc1
InChIInChI=1S/C17H17N3O5/c1-2-9-24-16(22)12-3-5-13(6-4-12)20-15(21)11-25-17(23)14-10-18-7-8-19-14/h3-8,10H,2,9,11H2,1H3,(H,20,21)
InChIKeyKREWKPKKNXVJGJ-UHFFFAOYSA-N
XLogP1.84
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2119071
[2-(4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7985770
[2-[4-(dimethylamino)anilino]-2-oxoethyl] pyrazine-2-carboxylate
CID 5035630
[2-(4-butoxycarbonylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2498078
[2-(4-bromo-3-methylanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2433474
[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928
propyl 4-(pyridine-2-carbonylamino)benzoate
CID 17353106
[2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 1088627
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] pyrazine-2-carboxylate
CID 7432805
propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 115593329
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 2274683

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate (CID 7702335) is [2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate is CCCOC(=O)c1ccc(NC(=O)COC(=O)c2cnccn2)cc1.
What is the InChIKey of [2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate?
The InChIKey is KREWKPKKNXVJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-2-9-24-16(22)12-3-5-13(6-4-12)20-15(21)11-25-17(23)14-10-18-7-8-19-14/h3-8,10H,2,9,11H2,1H3,(H,20,21).
What are the key properties of [2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate?
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate has a molecular weight of 343.34 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 7702335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).