[2-(4-carbamoylanilino)-2-oxoethyl] pyrazine-2-carboxylate

C14H12N4O4 — CID 2119071

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] pyrazine-2-carboxylate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)c2cnccn2)cc1
InChIInChI=1S/C14H12N4O4/c15-13(20)9-1-3-10(4-2-9)18-12(19)8-22-14(21)11-7-16-5-6-17-11/h1-7H,8H2,(H2,15,20)(H,18,19)
InChIKeyMDJUDZCKZDHIAD-UHFFFAOYSA-N
MW300.27 g/mol
LogP0.37
Rot. Bonds5

About [2-(4-carbamoylanilino)-2-oxoethyl] pyrazine-2-carboxylate

[2-(4-carbamoylanilino)-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 2119071) has the molecular formula C14H12N4O4 and a molecular weight of 300.27 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID2119071
Molecular FormulaC14H12N4O4
Molecular Weight300.27 g/mol
Exact Mass300.09
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] pyrazine-2-carboxylate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)c2cnccn2)cc1
InChIInChI=1S/C14H12N4O4/c15-13(20)9-1-3-10(4-2-9)18-12(19)8-22-14(21)11-7-16-5-6-17-11/h1-7H,8H2,(H2,15,20)(H,18,19)
InChIKeyMDJUDZCKZDHIAD-UHFFFAOYSA-N
XLogP0.37
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7985770
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate
CID 7702335
[2-[4-(dimethylamino)anilino]-2-oxoethyl] pyrazine-2-carboxylate
CID 5035630
[2-(4-bromo-3-methylanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2433474
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7985432
2-[[2-(pyrazine-2-carbonyloxy)acetyl]amino]benzoic acid
CID 23972998
[2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2355502
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7702201
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] pyrazine-2-carboxylate
CID 7432805
[2-(4-carbamoylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538421
[2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 2602039
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 38134077

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] pyrazine-2-carboxylate (CID 2119071) is [2-(4-carbamoylanilino)-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] pyrazine-2-carboxylate is NC(=O)c1ccc(NC(=O)COC(=O)c2cnccn2)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is MDJUDZCKZDHIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4/c15-13(20)9-1-3-10(4-2-9)18-12(19)8-22-14(21)11-7-16-5-6-17-11/h1-7H,8H2,(H2,15,20)(H,18,19).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] pyrazine-2-carboxylate?
[2-(4-carbamoylanilino)-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 300.27 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 2119071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).