N-(6-chloropyrazin-2-yl)-2-phenylacetamide

C12H10ClN3O — CID 90428639

IUPACN-(6-chloropyrazin-2-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cncc(Cl)n1
InChIInChI=1S/C12H10ClN3O/c13-10-7-14-8-11(15-10)16-12(17)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,15,16,17)
InChIKeyILLQUXZUVLDAGZ-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.31
Rot. Bonds3

About N-(6-chloropyrazin-2-yl)-2-phenylacetamide

N-(6-chloropyrazin-2-yl)-2-phenylacetamide (PubChem CID 90428639) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)-2-phenylacetamide
PubChem CID90428639
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC NameN-(6-chloropyrazin-2-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cncc(Cl)n1
InChIInChI=1S/C12H10ClN3O/c13-10-7-14-8-11(15-10)16-12(17)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,15,16,17)
InChIKeyILLQUXZUVLDAGZ-UHFFFAOYSA-N
XLogP2.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)-2-phenylacetamide?
The IUPAC name of N-(6-chloropyrazin-2-yl)-2-phenylacetamide (CID 90428639) is N-(6-chloropyrazin-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(6-chloropyrazin-2-yl)-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cncc(Cl)n1.
What is the InChIKey of N-(6-chloropyrazin-2-yl)-2-phenylacetamide?
The InChIKey is ILLQUXZUVLDAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-10-7-14-8-11(15-10)16-12(17)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,15,16,17).
What are the key properties of N-(6-chloropyrazin-2-yl)-2-phenylacetamide?
N-(6-chloropyrazin-2-yl)-2-phenylacetamide has a molecular weight of 247.69 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrazin-2-yl)-2-phenylacetamide is sourced from PubChem (CID 90428639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).