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

C13H10Cl2N4O3 — CID 2377624

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cn1
InChIInChI=1S/C13H10Cl2N4O3/c1-7-3-17-10(5-16-7)13(21)22-6-11(20)19-12-9(15)2-8(14)4-18-12/h2-5H,6H2,1H3,(H,18,19,20)
InChIKeyILAYNZGPLQIXNB-UHFFFAOYSA-N
MW341.15 g/mol
LogP2.28
Rot. Bonds4

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

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 2377624) has the molecular formula C13H10Cl2N4O3 and a molecular weight of 341.15 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID2377624
Molecular FormulaC13H10Cl2N4O3
Molecular Weight341.15 g/mol
Exact Mass340.01
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cn1
InChIInChI=1S/C13H10Cl2N4O3/c1-7-3-17-10(5-16-7)13(21)22-6-11(20)19-12-9(15)2-8(14)4-18-12/h2-5H,6H2,1H3,(H,18,19,20)
InChIKeyILAYNZGPLQIXNB-UHFFFAOYSA-N
XLogP2.28
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 52.28
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] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 2377624) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cn1.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is ILAYNZGPLQIXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O3/c1-7-3-17-10(5-16-7)13(21)22-6-11(20)19-12-9(15)2-8(14)4-18-12/h2-5H,6H2,1H3,(H,18,19,20).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 341.15 g/mol, XLogP of 2.28, 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] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2377624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).