[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate

C15H13BrN4O4 — CID 9196541

IUPAC[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C15H13BrN4O4/c16-10-3-1-2-4-11(10)20-13(21)8-19-14(22)9-24-15(23)12-7-17-5-6-18-12/h1-7H,8-9H2,(H,19,22)(H,20,21)
InChIKeyWUZHMXZBVHRBBO-UHFFFAOYSA-N
MW393.20 g/mol
LogP1.15
Rot. Bonds6

About [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate

[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 9196541) has the molecular formula C15H13BrN4O4 and a molecular weight of 393.20 g/mol. Its IUPAC name is [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID9196541
Molecular FormulaC15H13BrN4O4
Molecular Weight393.20 g/mol
Exact Mass392.01
IUPAC Name[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C15H13BrN4O4/c16-10-3-1-2-4-11(10)20-13(21)8-19-14(22)9-24-15(23)12-7-17-5-6-18-12/h1-7H,8-9H2,(H,19,22)(H,20,21)
InChIKeyWUZHMXZBVHRBBO-UHFFFAOYSA-N
XLogP1.15
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.20
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196552
2-[[2-(pyrazine-2-carbonyloxy)acetyl]amino]benzoic acid
CID 23972998
[2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2355502
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196545
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 9346632
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196711
[2-(4-bromo-3-methylanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2433474
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 55397271
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-amino-4-fluorobenzoate
CID 55424504
N-(2-bromophenyl)-2-[[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 8503107
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 27914629
N-(2-bromophenyl)-2-[[2-(2-cyanophenoxy)acetyl]amino]acetamide
CID 2555736

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate (CID 9196541) is [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate is O=C(COC(=O)c1cnccn1)NCC(=O)Nc1ccccc1Br.
What is the InChIKey of [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is WUZHMXZBVHRBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O4/c16-10-3-1-2-4-11(10)20-13(21)8-19-14(22)9-24-15(23)12-7-17-5-6-18-12/h1-7H,8-9H2,(H,19,22)(H,20,21).
What are the key properties of [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 393.20 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 9196541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).