5-chloro-N-(2,6-diethylphenyl)pyrazine-2-carboxamide

C15H16ClN3O — CID 107371744

IUPAC5-chloro-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C15H16ClN3O/c1-3-10-6-5-7-11(4-2)14(10)19-15(20)12-8-18-13(16)9-17-12/h5-9H,3-4H2,1-2H3,(H,19,20)
InChIKeyQMGJJFGCOHBNFX-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.51
Rot. Bonds4

About 5-chloro-N-(2,6-diethylphenyl)pyrazine-2-carboxamide

5-chloro-N-(2,6-diethylphenyl)pyrazine-2-carboxamide (PubChem CID 107371744) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 5-chloro-N-(2,6-diethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
PubChem CID107371744
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name5-chloro-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C15H16ClN3O/c1-3-10-6-5-7-11(4-2)14(10)19-15(20)12-8-18-13(16)9-17-12/h5-9H,3-4H2,1-2H3,(H,19,20)
InChIKeyQMGJJFGCOHBNFX-UHFFFAOYSA-N
XLogP3.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-diethylphenyl)-5-methylpyrazine-2-carboxamide
CID 17441034
N-(2-ethyl-6-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 8761786
5-(cyclopropylamino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
CID 109271857
N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 19224278
N-(2,6-diethylphenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide
CID 109287912
5-chloro-N-(2-chloro-6-fluorophenyl)pyrazine-2-carboxamide
CID 107372206
N-(2,6-diethylphenyl)-1,3-oxazole-4-carboxamide
CID 110689557
N-(2,6-diethylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182816
5-(3-cyanoanilino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
CID 109292172
N-(2,6-diethylphenyl)-1,2-oxazole-3-carboxamide
CID 110858252
5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109291880
N-(2,6-diethylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288815

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,6-diethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(2,6-diethylphenyl)pyrazine-2-carboxamide (CID 107371744) is 5-chloro-N-(2,6-diethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,6-diethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2,6-diethylphenyl)pyrazine-2-carboxamide is CCc1cccc(CC)c1NC(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2,6-diethylphenyl)pyrazine-2-carboxamide?
The InChIKey is QMGJJFGCOHBNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-3-10-6-5-7-11(4-2)14(10)19-15(20)12-8-18-13(16)9-17-12/h5-9H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-N-(2,6-diethylphenyl)pyrazine-2-carboxamide?
5-chloro-N-(2,6-diethylphenyl)pyrazine-2-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,6-diethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107371744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).