N-(2,2-diethoxyethyl)pyrazine-2-carboxamide

C11H17N3O3 — CID 103602082

IUPACN-(2,2-diethoxyethyl)pyrazine-2-carboxamide
SMILESCCOC(CNC(=O)c1cnccn1)OCC
InChIInChI=1S/C11H17N3O3/c1-3-16-10(17-4-2)8-14-11(15)9-7-12-5-6-13-9/h5-7,10H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyAVKDZIBORDXTBY-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.61
Rot. Bonds7

About N-(2,2-diethoxyethyl)pyrazine-2-carboxamide

N-(2,2-diethoxyethyl)pyrazine-2-carboxamide (PubChem CID 103602082) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)pyrazine-2-carboxamide
PubChem CID103602082
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-(2,2-diethoxyethyl)pyrazine-2-carboxamide
SMILESCCOC(CNC(=O)c1cnccn1)OCC
InChIInChI=1S/C11H17N3O3/c1-3-16-10(17-4-2)8-14-11(15)9-7-12-5-6-13-9/h5-7,10H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyAVKDZIBORDXTBY-UHFFFAOYSA-N
XLogP0.61
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxy-2-methylbutyl)pyrazine-2-carboxamide
CID 66106195
3-methoxy-4-(pyrazine-2-carbonylamino)butanoic acid
CID 103152974
N-(2,2-diethoxyethyl)-1-methylimidazole-4-carboxamide
CID 107972296
methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
CID 108574667
N-(3-methyl-2-oxobutyl)pyrazine-2-carboxamide
CID 103874912
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 51088431
N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 21060489
ethane;N-propan-2-ylpyrazine-2-carboxamide
CID 143147775
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-(2-methylprop-2-enyl)pyrazine-2-carboxamide
CID 114618266
N-(2-amino-2-oxoethyl)pyrazine-2-carboxamide
CID 14101204

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)pyrazine-2-carboxamide?
The IUPAC name of N-(2,2-diethoxyethyl)pyrazine-2-carboxamide (CID 103602082) is N-(2,2-diethoxyethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,2-diethoxyethyl)pyrazine-2-carboxamide is CCOC(CNC(=O)c1cnccn1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)pyrazine-2-carboxamide?
The InChIKey is AVKDZIBORDXTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-16-10(17-4-2)8-14-11(15)9-7-12-5-6-13-9/h5-7,10H,3-4,8H2,1-2H3,(H,14,15).
What are the key properties of N-(2,2-diethoxyethyl)pyrazine-2-carboxamide?
N-(2,2-diethoxyethyl)pyrazine-2-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 103602082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).