N-(2,6-dimethylphenyl)pyrazine-2-carboxamide

C13H13N3O — CID 835705

IUPACN-(2,6-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cnccn1
InChIInChI=1S/C13H13N3O/c1-9-4-3-5-10(2)12(9)16-13(17)11-8-14-6-7-15-11/h3-8H,1-2H3,(H,16,17)
InChIKeyVGYNIOSTZKBKNR-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.35
Rot. Bonds2

About N-(2,6-dimethylphenyl)pyrazine-2-carboxamide

N-(2,6-dimethylphenyl)pyrazine-2-carboxamide (PubChem CID 835705) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)pyrazine-2-carboxamide
PubChem CID835705
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-(2,6-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cnccn1
InChIInChI=1S/C13H13N3O/c1-9-4-3-5-10(2)12(9)16-13(17)11-8-14-6-7-15-11/h3-8H,1-2H3,(H,16,17)
InChIKeyVGYNIOSTZKBKNR-UHFFFAOYSA-N
XLogP2.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-2-pyrazinecarboxamide
CID 803568
BG-45
CID 16773791
N-phenyl-5,6-dip-tolylpyrazine-2-carboxamide
CID 10215860
5,6-Diaryl-pyrazine-2-amide derivative, 6b
CID 10309464
N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 803312
N-(3-acetylphenyl)pyrazine-2-carboxamide
CID 862105
N-(4-methylphenyl)pyrazine-2-carboxamide
CID 746705
N-(2,6-dimethylphenyl)nicotinamide
CID 767628
N-(4-methylbenzyl)-2-pyrazinecarboxamide
CID 897112
N-(3-methylphenyl)pyrazine-2-carboxamide
CID 743190
N-isopropyl-5,6-dip-tolylpyrazine-2-carboxamide
CID 44440708
N-isopentyl-5,6-dip-tolylpyrazine-2-carboxamide
CID 44440709

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)pyrazine-2-carboxamide (CID 835705) is N-(2,6-dimethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)pyrazine-2-carboxamide is Cc1cccc(C)c1NC(=O)c1cnccn1.
What is the InChIKey of N-(2,6-dimethylphenyl)pyrazine-2-carboxamide?
The InChIKey is VGYNIOSTZKBKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9-4-3-5-10(2)12(9)16-13(17)11-8-14-6-7-15-11/h3-8H,1-2H3,(H,16,17).
What are the key properties of N-(2,6-dimethylphenyl)pyrazine-2-carboxamide?
N-(2,6-dimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 835705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).