N-(2-bromo-4-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide

C17H19BrN4O — CID 109274228

IUPACN-(2-bromo-4-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(NC3CCCC3)cn2)c(Br)c1
InChIInChI=1S/C17H19BrN4O/c1-11-6-7-14(13(18)8-11)22-17(23)15-9-20-16(10-19-15)21-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,20,21)(H,22,23)
InChIKeyBKXAWNYQZXQHHS-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.15
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide

N-(2-bromo-4-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide (PubChem CID 109274228) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
PubChem CID109274228
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC NameN-(2-bromo-4-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(NC3CCCC3)cn2)c(Br)c1
InChIInChI=1S/C17H19BrN4O/c1-11-6-7-14(13(18)8-11)22-17(23)15-9-20-16(10-19-15)21-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,20,21)(H,22,23)
InChIKeyBKXAWNYQZXQHHS-UHFFFAOYSA-N
XLogP4.15
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109274163
5-(cyclohexylamino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109274899
N-(2-bromo-4-methylphenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166381
N-(2-bromo-4-methylphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289795
5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 107373934
5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109287578
N-(2-bromo-4-methylphenyl)-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 109247618
N-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274209
N-(3-bromophenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274970
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274240
5-(cyclohexylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109275001
5-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrazine-2-carboxamide
CID 109274247

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide (CID 109274228) is N-(2-bromo-4-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnc(NC3CCCC3)cn2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide?
The InChIKey is BKXAWNYQZXQHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c1-11-6-7-14(13(18)8-11)22-17(23)15-9-20-16(10-19-15)21-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,20,21)(H,22,23).
What are the key properties of N-(2-bromo-4-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide?
N-(2-bromo-4-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide has a molecular weight of 375.27 g/mol, XLogP of 4.15, 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-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109274228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).