5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide

C16H17BrN4O — CID 109274039

IUPAC5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide
SMILESO=C(NC1CCCC1)c1cnc(Nc2cccc(Br)c2)cn1
InChIInChI=1S/C16H17BrN4O/c17-11-4-3-7-13(8-11)20-15-10-18-14(9-19-15)16(22)21-12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6H2,(H,19,20)(H,21,22)
InChIKeyUNEFVXHLCXFSNF-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.66
Rot. Bonds4

About 5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide

5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide (PubChem CID 109274039) has the molecular formula C16H17BrN4O and a molecular weight of 361.24 g/mol. Its IUPAC name is 5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide
PubChem CID109274039
Molecular FormulaC16H17BrN4O
Molecular Weight361.24 g/mol
Exact Mass360.06
IUPAC Name5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide
SMILESO=C(NC1CCCC1)c1cnc(Nc2cccc(Br)c2)cn1
InChIInChI=1S/C16H17BrN4O/c17-11-4-3-7-13(8-11)20-15-10-18-14(9-19-15)16(22)21-12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6H2,(H,19,20)(H,21,22)
InChIKeyUNEFVXHLCXFSNF-UHFFFAOYSA-N
XLogP3.66
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide
CID 109274767
5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109182312
6-(3-bromoanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152271
5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271678
N-(3-bromophenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274970
2-(3-bromoanilino)-N-cyclohexylpyridine-4-carboxamide
CID 109166315
5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289890
4-(3-bromoanilino)-N-cyclopropylpyridine-2-carboxamide
CID 109201843
N-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109274017
5-(2-bromoanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271713
N-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109274776
5-(3-bromoanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291389

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide?
The IUPAC name of 5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide (CID 109274039) is 5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide?
The canonical SMILES for 5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide is O=C(NC1CCCC1)c1cnc(Nc2cccc(Br)c2)cn1.
What is the InChIKey of 5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide?
The InChIKey is UNEFVXHLCXFSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O/c17-11-4-3-7-13(8-11)20-15-10-18-14(9-19-15)16(22)21-12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6H2,(H,19,20)(H,21,22).
What are the key properties of 5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide?
5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide has a molecular weight of 361.24 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide is sourced from PubChem (CID 109274039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).