N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]acetamide

C9H15N3O — CID 57103626

IUPACN-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]acetamide
SMILESCC(=O)NCCC1=NC=CN(C)C1
InChIInChI=1S/C9H15N3O/c1-8(13)10-4-3-9-7-12(2)6-5-11-9/h5-6H,3-4,7H2,1-2H3,(H,10,13)
InChIKeyCFQVYSAULGPTBD-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.37
Rot. Bonds3

About N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]acetamide

N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]acetamide (PubChem CID 57103626) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]acetamide
PubChem CID57103626
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]acetamide
SMILESCC(=O)NCCC1=NC=CN(C)C1
InChIInChI=1S/C9H15N3O/c1-8(13)10-4-3-9-7-12(2)6-5-11-9/h5-6H,3-4,7H2,1-2H3,(H,10,13)
InChIKeyCFQVYSAULGPTBD-UHFFFAOYSA-N
XLogP0.37
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]acetamide (CID 57103626) is N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]acetamide is CC(=O)NCCC1=NC=CN(C)C1.
What is the InChIKey of N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]acetamide?
The InChIKey is CFQVYSAULGPTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8(13)10-4-3-9-7-12(2)6-5-11-9/h5-6H,3-4,7H2,1-2H3,(H,10,13).
What are the key properties of N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]acetamide?
N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]acetamide has a molecular weight of 181.24 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]acetamide is sourced from PubChem (CID 57103626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).