6-chloro-N-(2-methoxyethoxy)pyrazine-2-carboxamide

C8H10ClN3O3 — CID 106551480

IUPAC6-chloro-N-(2-methoxyethoxy)pyrazine-2-carboxamide
SMILESCOCCONC(=O)c1cncc(Cl)n1
InChIInChI=1S/C8H10ClN3O3/c1-14-2-3-15-12-8(13)6-4-10-5-7(9)11-6/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyKWNGOAUKSIZAAC-UHFFFAOYSA-N
MW231.64 g/mol
LogP0.44
Rot. Bonds5

About 6-chloro-N-(2-methoxyethoxy)pyrazine-2-carboxamide

6-chloro-N-(2-methoxyethoxy)pyrazine-2-carboxamide (PubChem CID 106551480) has the molecular formula C8H10ClN3O3 and a molecular weight of 231.64 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxyethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-methoxyethoxy)pyrazine-2-carboxamide
PubChem CID106551480
Molecular FormulaC8H10ClN3O3
Molecular Weight231.64 g/mol
Exact Mass231.04
IUPAC Name6-chloro-N-(2-methoxyethoxy)pyrazine-2-carboxamide
SMILESCOCCONC(=O)c1cncc(Cl)n1
InChIInChI=1S/C8H10ClN3O3/c1-14-2-3-15-12-8(13)6-4-10-5-7(9)11-6/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyKWNGOAUKSIZAAC-UHFFFAOYSA-N
XLogP0.44
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-ethoxypyrazine-2-carboxamide
CID 103186905
6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide
CID 106551616
6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide
CID 103187307
6-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazine-2-carboxamide
CID 106551650
ethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate
CID 103186993
N-(2-methoxyethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113249806
6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide
CID 106551385
6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide
CID 106551541
N-(2-methoxyethoxy)quinoline-2-carboxamide
CID 79676009
bis(6-chloropyrazin-2-yl)methanone
CID 152688598
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 103336862
tert-butyl (2S)-2-[(6-chloropyrazine-2-carbonyl)amino]propanoate
CID 106551571

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methoxyethoxy)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(2-methoxyethoxy)pyrazine-2-carboxamide (CID 106551480) is 6-chloro-N-(2-methoxyethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-methoxyethoxy)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(2-methoxyethoxy)pyrazine-2-carboxamide is COCCONC(=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(2-methoxyethoxy)pyrazine-2-carboxamide?
The InChIKey is KWNGOAUKSIZAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3/c1-14-2-3-15-12-8(13)6-4-10-5-7(9)11-6/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 6-chloro-N-(2-methoxyethoxy)pyrazine-2-carboxamide?
6-chloro-N-(2-methoxyethoxy)pyrazine-2-carboxamide has a molecular weight of 231.64 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methoxyethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 106551480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).