2-ethoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide

C13H17N5O2 — CID 122243681

IUPAC2-ethoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide
SMILESCCOCC(=O)NCCn1ccnc1-c1cnccn1
InChIInChI=1S/C13H17N5O2/c1-2-20-10-12(19)16-5-7-18-8-6-17-13(18)11-9-14-3-4-15-11/h3-4,6,8-9H,2,5,7,10H2,1H3,(H,16,19)
InChIKeyCUXLZGGTJUGVFE-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.49
Rot. Bonds7

About 2-ethoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide

2-ethoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide (PubChem CID 122243681) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide
PubChem CID122243681
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-ethoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide
SMILESCCOCC(=O)NCCn1ccnc1-c1cnccn1
InChIInChI=1S/C13H17N5O2/c1-2-20-10-12(19)16-5-7-18-8-6-17-13(18)11-9-14-3-4-15-11/h3-4,6,8-9H,2,5,7,10H2,1H3,(H,16,19)
InChIKeyCUXLZGGTJUGVFE-UHFFFAOYSA-N
XLogP0.49
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 72149672
CID 72149672
CID 49670401
CID 49670401
CID 124077414
CID 124077414
CID 76147902
CID 76147902
CID 91777875
CID 91777875
CID 96400613
CID 96400613
CID 122243731
CID 122243731
CID 124078785
CID 124078785
CID 45371047
CID 45371047
CID 49713379
CID 49713379
CID 52992821
CID 52992821
CID 56758355
CID 56758355

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-ethoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide (CID 122243681) is 2-ethoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide is CCOCC(=O)NCCn1ccnc1-c1cnccn1.
What is the InChIKey of 2-ethoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide?
The InChIKey is CUXLZGGTJUGVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-20-10-12(19)16-5-7-18-8-6-17-13(18)11-9-14-3-4-15-11/h3-4,6,8-9H,2,5,7,10H2,1H3,(H,16,19).
What are the key properties of 2-ethoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide?
2-ethoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide has a molecular weight of 275.31 g/mol, XLogP of 0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 122243681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).