6-chloro-N-ethoxypyrazine-2-carboxamide

C7H8ClN3O2 — CID 103186905

IUPAC6-chloro-N-ethoxypyrazine-2-carboxamide
SMILESCCONC(=O)c1cncc(Cl)n1
InChIInChI=1S/C7H8ClN3O2/c1-2-13-11-7(12)5-3-9-4-6(8)10-5/h3-4H,2H2,1H3,(H,11,12)
InChIKeyGGZLOEAHFLYADS-UHFFFAOYSA-N
MW201.61 g/mol
LogP0.81
Rot. Bonds3

About 6-chloro-N-ethoxypyrazine-2-carboxamide

6-chloro-N-ethoxypyrazine-2-carboxamide (PubChem CID 103186905) has the molecular formula C7H8ClN3O2 and a molecular weight of 201.61 g/mol. Its IUPAC name is 6-chloro-N-ethoxypyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-ethoxypyrazine-2-carboxamide
PubChem CID103186905
Molecular FormulaC7H8ClN3O2
Molecular Weight201.61 g/mol
Exact Mass201.03
IUPAC Name6-chloro-N-ethoxypyrazine-2-carboxamide
SMILESCCONC(=O)c1cncc(Cl)n1
InChIInChI=1S/C7H8ClN3O2/c1-2-13-11-7(12)5-3-9-4-6(8)10-5/h3-4H,2H2,1H3,(H,11,12)
InChIKeyGGZLOEAHFLYADS-UHFFFAOYSA-N
XLogP0.81
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2-methoxyethoxy)pyrazine-2-carboxamide
CID 106551480
ethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate
CID 103186993
6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide
CID 103187307
N-ethoxy-2H-triazole-4-carboxamide
CID 61071491
6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide
CID 106551616
6-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide
CID 106551326
6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide
CID 106551385
6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide
CID 106551541
bis(6-chloropyrazin-2-yl)methanone
CID 152688598
6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 106551213
2-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpentanoic acid
CID 114035170
tert-butyl (2S)-2-[(6-chloropyrazine-2-carbonyl)amino]propanoate
CID 106551571

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethoxypyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-ethoxypyrazine-2-carboxamide (CID 103186905) is 6-chloro-N-ethoxypyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-ethoxypyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-ethoxypyrazine-2-carboxamide is CCONC(=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-ethoxypyrazine-2-carboxamide?
The InChIKey is GGZLOEAHFLYADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O2/c1-2-13-11-7(12)5-3-9-4-6(8)10-5/h3-4H,2H2,1H3,(H,11,12).
What are the key properties of 6-chloro-N-ethoxypyrazine-2-carboxamide?
6-chloro-N-ethoxypyrazine-2-carboxamide has a molecular weight of 201.61 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethoxypyrazine-2-carboxamide is sourced from PubChem (CID 103186905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).