N-(2-ethoxyphenyl)pyrazine-2-carboxamide

C13H13N3O2 — CID 862099

IUPACN-(2-ethoxyphenyl)pyrazine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnccn1
InChIInChI=1S/C13H13N3O2/c1-2-18-12-6-4-3-5-10(12)16-13(17)11-9-14-7-8-15-11/h3-9H,2H2,1H3,(H,16,17)
InChIKeyKSGSQBIVZAEGBJ-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.13
Rot. Bonds4

About N-(2-ethoxyphenyl)pyrazine-2-carboxamide

N-(2-ethoxyphenyl)pyrazine-2-carboxamide (PubChem CID 862099) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)pyrazine-2-carboxamide
PubChem CID862099
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(2-ethoxyphenyl)pyrazine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnccn1
InChIInChI=1S/C13H13N3O2/c1-2-18-12-6-4-3-5-10(12)16-13(17)11-9-14-7-8-15-11/h3-9H,2H2,1H3,(H,16,17)
InChIKeyKSGSQBIVZAEGBJ-UHFFFAOYSA-N
XLogP2.13
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)pyrazine-2-carboxamide (CID 862099) is N-(2-ethoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)pyrazine-2-carboxamide is CCOc1ccccc1NC(=O)c1cnccn1.
What is the InChIKey of N-(2-ethoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is KSGSQBIVZAEGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-2-18-12-6-4-3-5-10(12)16-13(17)11-9-14-7-8-15-11/h3-9H,2H2,1H3,(H,16,17).
What are the key properties of N-(2-ethoxyphenyl)pyrazine-2-carboxamide?
N-(2-ethoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 862099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).