5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide

C12H7ClN4O — CID 103803374

IUPAC5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cnc(Cl)cn2)c1
InChIInChI=1S/C12H7ClN4O/c13-11-7-15-10(6-16-11)12(18)17-9-3-1-2-8(4-9)5-14/h1-4,6-7H,(H,17,18)
InChIKeyUMGXYYDAYYCHMM-UHFFFAOYSA-N
MW258.67 g/mol
LogP2.25
Rot. Bonds2

About 5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide

5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide (PubChem CID 103803374) has the molecular formula C12H7ClN4O and a molecular weight of 258.67 g/mol. Its IUPAC name is 5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide
PubChem CID103803374
Molecular FormulaC12H7ClN4O
Molecular Weight258.67 g/mol
Exact Mass258.03
IUPAC Name5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cnc(Cl)cn2)c1
InChIInChI=1S/C12H7ClN4O/c13-11-7-15-10(6-16-11)12(18)17-9-3-1-2-8(4-9)5-14/h1-4,6-7H,(H,17,18)
InChIKeyUMGXYYDAYYCHMM-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

N-(3-cyanophenyl)-5-(2,3-dichloroanilino)pyrazine-2-carboxamide
CID 109294627
5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 109289409
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
N-(3-cyanophenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194832
5-(3-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197351
N-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide
CID 109293290
methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate
CID 103817046
5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 103803477
N-(3-cyanophenyl)-1-methylimidazole-4-carboxamide
CID 113264926
2-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092850
N-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193469
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide (CID 103803374) is 5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide is N#Cc1cccc(NC(=O)c2cnc(Cl)cn2)c1.
What is the InChIKey of 5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide?
The InChIKey is UMGXYYDAYYCHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN4O/c13-11-7-15-10(6-16-11)12(18)17-9-3-1-2-8(4-9)5-14/h1-4,6-7H,(H,17,18).
What are the key properties of 5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide?
5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide 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 5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 103803374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).