N-(4-ethylphenyl)pyrazine-2-carboxamide

C13H13N3O — CID 841635

IUPACN-(4-ethylphenyl)pyrazine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cnccn2)cc1
InChIInChI=1S/C13H13N3O/c1-2-10-3-5-11(6-4-10)16-13(17)12-9-14-7-8-15-12/h3-9H,2H2,1H3,(H,16,17)
InChIKeyYAABJMRUUQSQBM-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.29
Rot. Bonds3

About N-(4-ethylphenyl)pyrazine-2-carboxamide

N-(4-ethylphenyl)pyrazine-2-carboxamide (PubChem CID 841635) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(4-ethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)pyrazine-2-carboxamide
PubChem CID841635
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-(4-ethylphenyl)pyrazine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cnccn2)cc1
InChIInChI=1S/C13H13N3O/c1-2-10-3-5-11(6-4-10)16-13(17)12-9-14-7-8-15-12/h3-9H,2H2,1H3,(H,16,17)
InChIKeyYAABJMRUUQSQBM-UHFFFAOYSA-N
XLogP2.29
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)pyrazine-2-carboxamide (CID 841635) is N-(4-ethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)pyrazine-2-carboxamide is CCc1ccc(NC(=O)c2cnccn2)cc1.
What is the InChIKey of N-(4-ethylphenyl)pyrazine-2-carboxamide?
The InChIKey is YAABJMRUUQSQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-2-10-3-5-11(6-4-10)16-13(17)12-9-14-7-8-15-12/h3-9H,2H2,1H3,(H,16,17).
What are the key properties of N-(4-ethylphenyl)pyrazine-2-carboxamide?
N-(4-ethylphenyl)pyrazine-2-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 841635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).