[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate

C12H8Cl2N4O3 — CID 7985530

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2N4O3/c13-7-3-8(14)11(17-4-7)18-10(19)6-21-12(20)9-5-15-1-2-16-9/h1-5H,6H2,(H,17,18,19)
InChIKeyACLJYFOETHDTJH-UHFFFAOYSA-N
MW327.13 g/mol
LogP1.97
Rot. Bonds4

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 7985530) has the molecular formula C12H8Cl2N4O3 and a molecular weight of 327.13 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID7985530
Molecular FormulaC12H8Cl2N4O3
Molecular Weight327.13 g/mol
Exact Mass326.00
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2N4O3/c13-7-3-8(14)11(17-4-7)18-10(19)6-21-12(20)9-5-15-1-2-16-9/h1-5H,6H2,(H,17,18,19)
InChIKeyACLJYFOETHDTJH-UHFFFAOYSA-N
XLogP1.97
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate (CID 7985530) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate is O=C(COC(=O)c1cnccn1)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is ACLJYFOETHDTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4O3/c13-7-3-8(14)11(17-4-7)18-10(19)6-21-12(20)9-5-15-1-2-16-9/h1-5H,6H2,(H,17,18,19).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 327.13 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 7985530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).