5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide

C18H12BrN5O — CID 109294390

IUPAC5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cnc(Nc2ccccc2Br)cn1
InChIInChI=1S/C18H12BrN5O/c19-13-6-2-4-8-15(13)23-17-11-21-16(10-22-17)18(25)24-14-7-3-1-5-12(14)9-20/h1-8,10-11H,(H,22,23)(H,24,25)
InChIKeySWSQSWJHNULPBX-UHFFFAOYSA-N
MW394.23 g/mol
LogP4.11
Rot. Bonds4

About 5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide

5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide (PubChem CID 109294390) has the molecular formula C18H12BrN5O and a molecular weight of 394.23 g/mol. Its IUPAC name is 5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
PubChem CID109294390
Molecular FormulaC18H12BrN5O
Molecular Weight394.23 g/mol
Exact Mass393.02
IUPAC Name5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cnc(Nc2ccccc2Br)cn1
InChIInChI=1S/C18H12BrN5O/c19-13-6-2-4-8-15(13)23-17-11-21-16(10-22-17)18(25)24-14-7-3-1-5-12(14)9-20/h1-8,10-11H,(H,22,23)(H,24,25)
InChIKeySWSQSWJHNULPBX-UHFFFAOYSA-N
XLogP4.11
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294656
N-(2-cyanophenyl)-5-(2-ethylanilino)pyrazine-2-carboxamide
CID 109291580
6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide
CID 109130126
5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289697
N-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109290955
N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyrazine-2-carboxamide
CID 109294144
5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide
CID 109294665
N-(2-bromophenyl)-6-(2-cyanoanilino)pyridine-3-carboxamide
CID 109164779
N-(2-cyanophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294662
N-(2-cyanophenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271145
5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290079
N-(2-cyanophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109293558

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide (CID 109294390) is 5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide is N#Cc1ccccc1NC(=O)c1cnc(Nc2ccccc2Br)cn1.
What is the InChIKey of 5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide?
The InChIKey is SWSQSWJHNULPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN5O/c19-13-6-2-4-8-15(13)23-17-11-21-16(10-22-17)18(25)24-14-7-3-1-5-12(14)9-20/h1-8,10-11H,(H,22,23)(H,24,25).
What are the key properties of 5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide?
5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide has a molecular weight of 394.23 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109294390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).