N-(3-bromophenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide

C17H19BrN4O — CID 109274970

IUPACN-(3-bromophenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cnc(NC2CCCCC2)cn1
InChIInChI=1S/C17H19BrN4O/c18-12-5-4-8-14(9-12)22-17(23)15-10-20-16(11-19-15)21-13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7H2,(H,20,21)(H,22,23)
InChIKeyQTNOGEUUEMLAIL-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.24
Rot. Bonds4

About N-(3-bromophenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide

N-(3-bromophenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide (PubChem CID 109274970) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide
PubChem CID109274970
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC NameN-(3-bromophenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cnc(NC2CCCCC2)cn1
InChIInChI=1S/C17H19BrN4O/c18-12-5-4-8-14(9-12)22-17(23)15-10-20-16(11-19-15)21-13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7H2,(H,20,21)(H,22,23)
InChIKeyQTNOGEUUEMLAIL-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclohexylamino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109274899
N-(3-bromophenyl)-6-(cyclopentylamino)pyridine-3-carboxamide
CID 109152213
5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide
CID 109274039
5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109274163
N-(3-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166380
N-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274209
N-(3-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226964
5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289890
N-(4-acetylphenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274951
5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109274938
N-(4-acetylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274207
5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109287578

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-bromophenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide (CID 109274970) is N-(3-bromophenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide is O=C(Nc1cccc(Br)c1)c1cnc(NC2CCCCC2)cn1.
What is the InChIKey of N-(3-bromophenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide?
The InChIKey is QTNOGEUUEMLAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c18-12-5-4-8-14(9-12)22-17(23)15-10-20-16(11-19-15)21-13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7H2,(H,20,21)(H,22,23).
What are the key properties of N-(3-bromophenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide?
N-(3-bromophenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide has a molecular weight of 375.27 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109274970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).