2-[(6-chloropyrazin-2-yl)-methylamino]-N,N-diethylacetamide

C11H17ClN4O — CID 54943266

IUPAC2-[(6-chloropyrazin-2-yl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1cncc(Cl)n1
InChIInChI=1S/C11H17ClN4O/c1-4-16(5-2)11(17)8-15(3)10-7-13-6-9(12)14-10/h6-7H,4-5,8H2,1-3H3
InChIKeyJCFWAUYKTRDBMX-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.43
Rot. Bonds5

About 2-[(6-chloropyrazin-2-yl)-methylamino]-N,N-diethylacetamide

2-[(6-chloropyrazin-2-yl)-methylamino]-N,N-diethylacetamide (PubChem CID 54943266) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-[(6-chloropyrazin-2-yl)-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(6-chloropyrazin-2-yl)-methylamino]-N,N-diethylacetamide
PubChem CID54943266
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name2-[(6-chloropyrazin-2-yl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1cncc(Cl)n1
InChIInChI=1S/C11H17ClN4O/c1-4-16(5-2)11(17)8-15(3)10-7-13-6-9(12)14-10/h6-7H,4-5,8H2,1-3H3
InChIKeyJCFWAUYKTRDBMX-UHFFFAOYSA-N
XLogP1.43
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyrazin-2-yl)-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(6-chloropyrazin-2-yl)-methylamino]-N,N-diethylacetamide (CID 54943266) is 2-[(6-chloropyrazin-2-yl)-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(6-chloropyrazin-2-yl)-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(6-chloropyrazin-2-yl)-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)c1cncc(Cl)n1.
What is the InChIKey of 2-[(6-chloropyrazin-2-yl)-methylamino]-N,N-diethylacetamide?
The InChIKey is JCFWAUYKTRDBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-4-16(5-2)11(17)8-15(3)10-7-13-6-9(12)14-10/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 2-[(6-chloropyrazin-2-yl)-methylamino]-N,N-diethylacetamide?
2-[(6-chloropyrazin-2-yl)-methylamino]-N,N-diethylacetamide has a molecular weight of 256.74 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyrazin-2-yl)-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 54943266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).