6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide

C13H9ClN4O — CID 106551252

IUPAC6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)c1cncc(Cl)n1
InChIInChI=1S/C13H9ClN4O/c1-8-2-3-9(5-15)4-10(8)18-13(19)11-6-16-7-12(14)17-11/h2-4,6-7H,1H3,(H,18,19)
InChIKeyHIDLNSYPNVFOTD-UHFFFAOYSA-N
MW272.70 g/mol
LogP2.56
Rot. Bonds2

About 6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide

6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide (PubChem CID 106551252) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is 6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide
PubChem CID106551252
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC Name6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)c1cncc(Cl)n1
InChIInChI=1S/C13H9ClN4O/c1-8-2-3-9(5-15)4-10(8)18-13(19)11-6-16-7-12(14)17-11/h2-4,6-7H,1H3,(H,18,19)
InChIKeyHIDLNSYPNVFOTD-UHFFFAOYSA-N
XLogP2.56
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-methylphenyl)-6-chloropyrazine-2-carboxamide
CID 103337254
6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 47475855
4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81226761
2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
CID 62105070
6-chloro-N-(4-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 103336937
2-amino-5-chloro-N-(5-cyano-2-methylphenyl)pyridine-4-carboxamide
CID 114922463
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
5-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide
CID 55037313
3-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475839
3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide
CID 103736029
N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62059398
3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide
CID 80644972

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide (CID 106551252) is 6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide is Cc1ccc(C#N)cc1NC(=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is HIDLNSYPNVFOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c1-8-2-3-9(5-15)4-10(8)18-13(19)11-6-16-7-12(14)17-11/h2-4,6-7H,1H3,(H,18,19).
What are the key properties of 6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide?
6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 272.70 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 106551252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).