2-[5-(4-chlorophenyl)pyrazin-2-yl]propanamide

C13H12ClN3O — CID 21413243

IUPAC2-[5-(4-chlorophenyl)pyrazin-2-yl]propanamide
SMILESCC(C(N)=O)c1cnc(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H12ClN3O/c1-8(13(15)18)11-6-17-12(7-16-11)9-2-4-10(14)5-3-9/h2-8H,1H3,(H2,15,18)
InChIKeyOHRWERMTRWRSTE-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.39
Rot. Bonds3

About 2-[5-(4-chlorophenyl)pyrazin-2-yl]propanamide

2-[5-(4-chlorophenyl)pyrazin-2-yl]propanamide (PubChem CID 21413243) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)pyrazin-2-yl]propanamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)pyrazin-2-yl]propanamide
PubChem CID21413243
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name2-[5-(4-chlorophenyl)pyrazin-2-yl]propanamide
SMILESCC(C(N)=O)c1cnc(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H12ClN3O/c1-8(13(15)18)11-6-17-12(7-16-11)9-2-4-10(14)5-3-9/h2-8H,1H3,(H2,15,18)
InChIKeyOHRWERMTRWRSTE-UHFFFAOYSA-N
XLogP2.39
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)pyrazin-2-yl]propanamide?
The IUPAC name of 2-[5-(4-chlorophenyl)pyrazin-2-yl]propanamide (CID 21413243) is 2-[5-(4-chlorophenyl)pyrazin-2-yl]propanamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)pyrazin-2-yl]propanamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)pyrazin-2-yl]propanamide is CC(C(N)=O)c1cnc(-c2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-[5-(4-chlorophenyl)pyrazin-2-yl]propanamide?
The InChIKey is OHRWERMTRWRSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-8(13(15)18)11-6-17-12(7-16-11)9-2-4-10(14)5-3-9/h2-8H,1H3,(H2,15,18).
What are the key properties of 2-[5-(4-chlorophenyl)pyrazin-2-yl]propanamide?
2-[5-(4-chlorophenyl)pyrazin-2-yl]propanamide has a molecular weight of 261.71 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)pyrazin-2-yl]propanamide is sourced from PubChem (CID 21413243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).