N-(4-hydroxy-2,5-dimethylphenyl)pyrazine-2-carboxamide

C13H13N3O2 — CID 136762067

IUPACN-(4-hydroxy-2,5-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)c2cnccn2)c(C)cc1O
InChIInChI=1S/C13H13N3O2/c1-8-6-12(17)9(2)5-10(8)16-13(18)11-7-14-3-4-15-11/h3-7,17H,1-2H3,(H,16,18)
InChIKeyZKQLDFFFGQRQOW-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.05
Rot. Bonds2

About N-(4-hydroxy-2,5-dimethylphenyl)pyrazine-2-carboxamide

N-(4-hydroxy-2,5-dimethylphenyl)pyrazine-2-carboxamide (PubChem CID 136762067) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(4-hydroxy-2,5-dimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,5-dimethylphenyl)pyrazine-2-carboxamide
PubChem CID136762067
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(4-hydroxy-2,5-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)c2cnccn2)c(C)cc1O
InChIInChI=1S/C13H13N3O2/c1-8-6-12(17)9(2)5-10(8)16-13(18)11-7-14-3-4-15-11/h3-7,17H,1-2H3,(H,16,18)
InChIKeyZKQLDFFFGQRQOW-UHFFFAOYSA-N
XLogP2.05
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4,5-trimethylphenyl)pyrazine-2-carboxamide
CID 110792925
N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 803312
5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide
CID 106834852
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 110792705
N-(2-chloro-5-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 102979687
N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 694797
N-(4-hydroxy-2,5-dimethylphenyl)-5-methylpyridine-3-carboxamide
CID 106834683
5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide
CID 106834615
N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 87001470
N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 110699072
N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]pyrazine-2-carboxamide
CID 50834726
N-(4-bromo-3-methylphenyl)pyrazine-2-carboxamide
CID 3273013

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)pyrazine-2-carboxamide (CID 136762067) is N-(4-hydroxy-2,5-dimethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,5-dimethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,5-dimethylphenyl)pyrazine-2-carboxamide is Cc1cc(NC(=O)c2cnccn2)c(C)cc1O.
What is the InChIKey of N-(4-hydroxy-2,5-dimethylphenyl)pyrazine-2-carboxamide?
The InChIKey is ZKQLDFFFGQRQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-6-12(17)9(2)5-10(8)16-13(18)11-7-14-3-4-15-11/h3-7,17H,1-2H3,(H,16,18).
What are the key properties of N-(4-hydroxy-2,5-dimethylphenyl)pyrazine-2-carboxamide?
N-(4-hydroxy-2,5-dimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,5-dimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 136762067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).