5-chloro-N,N-dimethylpyrazine-2-carboxamide

C7H8ClN3O — CID 59000470

IUPAC5-chloro-N,N-dimethylpyrazine-2-carboxamide
SMILESCN(C)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C7H8ClN3O/c1-11(2)7(12)5-3-10-6(8)4-9-5/h3-4H,1-2H3
InChIKeyIBZOWEQTYFZAEX-UHFFFAOYSA-N
MW185.61 g/mol
LogP0.83
Rot. Bonds1

About 5-chloro-N,N-dimethylpyrazine-2-carboxamide

5-chloro-N,N-dimethylpyrazine-2-carboxamide (PubChem CID 59000470) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is 5-chloro-N,N-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N,N-dimethylpyrazine-2-carboxamide
PubChem CID59000470
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC Name5-chloro-N,N-dimethylpyrazine-2-carboxamide
SMILESCN(C)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C7H8ClN3O/c1-11(2)7(12)5-3-10-6(8)4-9-5/h3-4H,1-2H3
InChIKeyIBZOWEQTYFZAEX-UHFFFAOYSA-N
XLogP0.83
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazinamide
CID 1046
5-Chloropyrazinamide
CID 181450
6-Chloropyrazine-2-carboxamide
CID 1282529
N-tert-butyl-5-chloropyrazine-2-carboxamide
CID 44586033
2-Pyrazinecarboxamide, N,N-diethyl-5-methyl-, 4-oxide
CID 3039690
5-Methyl-2-pyrazinecarboxamide
CID 2760054
5-Chloropyrazine-2-carbonyl chloride
CID 15215743
5-chloro-N-methylpyrazine-2-carboxamide
CID 59276991
5-chloro-N-propylpyrazine-2-carboxamide
CID 44586032
Pyrazinamide methiodide
CID 171646
(4-Ethyl-1-piperazinyl)(2-pyrazinyl)methanone
CID 4115605
N-[(Dimethylamino)methylene]pyrazine-2-carboxamide
CID 16727655

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-dimethylpyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N,N-dimethylpyrazine-2-carboxamide (CID 59000470) is 5-chloro-N,N-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N,N-dimethylpyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N,N-dimethylpyrazine-2-carboxamide is CN(C)C(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N,N-dimethylpyrazine-2-carboxamide?
The InChIKey is IBZOWEQTYFZAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O/c1-11(2)7(12)5-3-10-6(8)4-9-5/h3-4H,1-2H3.
What are the key properties of 5-chloro-N,N-dimethylpyrazine-2-carboxamide?
5-chloro-N,N-dimethylpyrazine-2-carboxamide has a molecular weight of 185.61 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 59000470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).