[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate

C12H9ClN4O3 — CID 23774933

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H9ClN4O3/c13-8-1-2-10(16-5-8)17-11(18)7-20-12(19)9-6-14-3-4-15-9/h1-6H,7H2,(H,16,17,18)
InChIKeyGZJYXVXKKGQWKT-UHFFFAOYSA-N
MW292.68 g/mol
LogP1.32
Rot. Bonds4

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 23774933) has the molecular formula C12H9ClN4O3 and a molecular weight of 292.68 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID23774933
Molecular FormulaC12H9ClN4O3
Molecular Weight292.68 g/mol
Exact Mass292.04
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H9ClN4O3/c13-8-1-2-10(16-5-8)17-11(18)7-20-12(19)9-6-14-3-4-15-9/h1-6H,7H2,(H,16,17,18)
InChIKeyGZJYXVXKKGQWKT-UHFFFAOYSA-N
XLogP1.32
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate (CID 23774933) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate is O=C(COC(=O)c1cnccn1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is GZJYXVXKKGQWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O3/c13-8-1-2-10(16-5-8)17-11(18)7-20-12(19)9-6-14-3-4-15-9/h1-6H,7H2,(H,16,17,18).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 292.68 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 23774933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).