N-(6-chloropyrazin-2-yl)-4-cyanobenzamide

C12H7ClN4O — CID 115599289

IUPACN-(6-chloropyrazin-2-yl)-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2cncc(Cl)n2)cc1
InChIInChI=1S/C12H7ClN4O/c13-10-6-15-7-11(16-10)17-12(18)9-3-1-8(5-14)2-4-9/h1-4,6-7H,(H,16,17,18)
InChIKeyRHDPIPSDSWXXGV-UHFFFAOYSA-N
MW258.67 g/mol
LogP2.25
Rot. Bonds2

About N-(6-chloropyrazin-2-yl)-4-cyanobenzamide

N-(6-chloropyrazin-2-yl)-4-cyanobenzamide (PubChem CID 115599289) has the molecular formula C12H7ClN4O and a molecular weight of 258.67 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)-4-cyanobenzamide.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)-4-cyanobenzamide
PubChem CID115599289
Molecular FormulaC12H7ClN4O
Molecular Weight258.67 g/mol
Exact Mass258.03
IUPAC NameN-(6-chloropyrazin-2-yl)-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2cncc(Cl)n2)cc1
InChIInChI=1S/C12H7ClN4O/c13-10-6-15-7-11(16-10)17-12(18)9-3-1-8(5-14)2-4-9/h1-4,6-7H,(H,16,17,18)
InChIKeyRHDPIPSDSWXXGV-UHFFFAOYSA-N
XLogP2.25
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.67
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-(2,6-dichloro-3-pyridinyl)benzamide
CID 89406457
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
4-cyano-N-(1,2-oxazol-3-yl)benzamide
CID 60660035
N-(6-chloropyrazin-2-yl)-5-fluoropyridine-3-carboxamide
CID 104819879
4-cyano-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 14593012
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide
CID 22596384
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
N-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide
CID 102979689
6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide
CID 106551252
6-chloro-N-[1-(4-cyanophenyl)ethyl]pyrazine-2-carboxamide
CID 106551023
N-(6-chloropyrazin-2-yl)-1-phenylpyrazole-4-carboxamide
CID 104819812

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)-4-cyanobenzamide?
The IUPAC name of N-(6-chloropyrazin-2-yl)-4-cyanobenzamide (CID 115599289) is N-(6-chloropyrazin-2-yl)-4-cyanobenzamide.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)-4-cyanobenzamide?
The canonical SMILES for N-(6-chloropyrazin-2-yl)-4-cyanobenzamide is N#Cc1ccc(C(=O)Nc2cncc(Cl)n2)cc1.
What is the InChIKey of N-(6-chloropyrazin-2-yl)-4-cyanobenzamide?
The InChIKey is RHDPIPSDSWXXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN4O/c13-10-6-15-7-11(16-10)17-12(18)9-3-1-8(5-14)2-4-9/h1-4,6-7H,(H,16,17,18).
What are the key properties of N-(6-chloropyrazin-2-yl)-4-cyanobenzamide?
N-(6-chloropyrazin-2-yl)-4-cyanobenzamide has a molecular weight of 258.67 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrazin-2-yl)-4-cyanobenzamide is sourced from PubChem (CID 115599289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).