N-(2-bromo-4-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide

C13H12BrClN4O — CID 107376370

IUPACN-(2-bromo-4-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)Nc2ccc(Cl)cc2Br)cn1
InChIInChI=1S/C13H12BrClN4O/c1-2-16-12-7-17-11(6-18-12)13(20)19-10-4-3-8(15)5-9(10)14/h3-7H,2H2,1H3,(H,16,18)(H,19,20)
InChIKeyZQHLNSUIZDGJPT-UHFFFAOYSA-N
MW355.62 g/mol
LogP3.58
Rot. Bonds4

About N-(2-bromo-4-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide

N-(2-bromo-4-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide (PubChem CID 107376370) has the molecular formula C13H12BrClN4O and a molecular weight of 355.62 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
PubChem CID107376370
Molecular FormulaC13H12BrClN4O
Molecular Weight355.62 g/mol
Exact Mass353.99
IUPAC NameN-(2-bromo-4-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)Nc2ccc(Cl)cc2Br)cn1
InChIInChI=1S/C13H12BrClN4O/c1-2-16-12-7-17-11(6-18-12)13(20)19-10-4-3-8(15)5-9(10)14/h3-7H,2H2,1H3,(H,16,18)(H,19,20)
InChIKeyZQHLNSUIZDGJPT-UHFFFAOYSA-N
XLogP3.58
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dibromophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107375297
N-(2-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374242
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273038
5-chloro-N-(2,4-dibromophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923151
5-(ethylamino)-N-(4-iodophenyl)pyrazine-2-carboxamide
CID 107374377
N-(2-bromo-4-fluorophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104640072
N-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273098
N-(2-bromo-4-chlorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387021
N-(2-cyano-4-fluorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107376511
N-(2,5-dichlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109276006
N-(4-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281739
5-(ethylamino)-N-(2-methyl-4-pyridinyl)pyrazine-2-carboxamide
CID 107376119

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide (CID 107376370) is N-(2-bromo-4-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide is CCNc1cnc(C(=O)Nc2ccc(Cl)cc2Br)cn1.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide?
The InChIKey is ZQHLNSUIZDGJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN4O/c1-2-16-12-7-17-11(6-18-12)13(20)19-10-4-3-8(15)5-9(10)14/h3-7H,2H2,1H3,(H,16,18)(H,19,20).
What are the key properties of N-(2-bromo-4-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide?
N-(2-bromo-4-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide has a molecular weight of 355.62 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107376370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).