N-(2-chloroethyl)pyrazine-2-carboxamide

C7H8ClN3O — CID 91390606

IUPACN-(2-chloroethyl)pyrazine-2-carboxamide
SMILESO=C(NCCCl)c1cnccn1
InChIInChI=1S/C7H8ClN3O/c8-1-2-11-7(12)6-5-9-3-4-10-6/h3-5H,1-2H2,(H,11,12)
InChIKeyLMIVTRRBKMVMCE-UHFFFAOYSA-N
MW185.61 g/mol
LogP0.45
Rot. Bonds3

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

N-(2-chloroethyl)pyrazine-2-carboxamide (PubChem CID 91390606) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is N-(2-chloroethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)pyrazine-2-carboxamide
PubChem CID91390606
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC NameN-(2-chloroethyl)pyrazine-2-carboxamide
SMILESO=C(NCCCl)c1cnccn1
InChIInChI=1S/C7H8ClN3O/c8-1-2-11-7(12)6-5-9-3-4-10-6/h3-5H,1-2H2,(H,11,12)
InChIKeyLMIVTRRBKMVMCE-UHFFFAOYSA-N
XLogP0.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Pyrazinamide
CID 1046
5-Chloropyrazinamide
CID 181450
N-octylpyrazine-2-carboxamide
CID 1746086
6-Chloropyrazine-2-carboxamide
CID 1282529
N-tert-butyl-5-chloropyrazine-2-carboxamide
CID 44586033
5-chloro-N-methylpyrazine-2-carboxamide
CID 59276991
3-(Pyrazin-2-ylformamido)propanoic acid
CID 4182709
5-chloro-N-propylpyrazine-2-carboxamide
CID 44586032
CID 46197014
CID 46197014
N-carbamimidoylpyrazine-2-carboxamide hydrochloride
CID 57403250
N,N-Dimethyl 2-pyrazinecarboxamide
CID 470905
N-(hydroxymethyl)pyrazine-2-carboxamide
CID 470914

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)pyrazine-2-carboxamide?
The IUPAC name of N-(2-chloroethyl)pyrazine-2-carboxamide (CID 91390606) is N-(2-chloroethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-chloroethyl)pyrazine-2-carboxamide is O=C(NCCCl)c1cnccn1.
What is the InChIKey of N-(2-chloroethyl)pyrazine-2-carboxamide?
The InChIKey is LMIVTRRBKMVMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O/c8-1-2-11-7(12)6-5-9-3-4-10-6/h3-5H,1-2H2,(H,11,12).
What are the key properties of N-(2-chloroethyl)pyrazine-2-carboxamide?
N-(2-chloroethyl)pyrazine-2-carboxamide has a molecular weight of 185.61 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 91390606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).