5,6-bis(4-bromophenyl)-N-cyclohexylpyrazine-2-carboxamide

C23H21Br2N3O — CID 10217960

IUPAC5,6-bis(4-bromophenyl)-N-cyclohexylpyrazine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1
InChIInChI=1S/C23H21Br2N3O/c24-17-10-6-15(7-11-17)21-22(16-8-12-18(25)13-9-16)28-20(14-26-21)23(29)27-19-4-2-1-3-5-19/h6-14,19H,1-5H2,(H,27,29)
InChIKeyMVJXAVCGHLLTTE-UHFFFAOYSA-N
MW515.25 g/mol
LogP6.40
Rot. Bonds4

About 5,6-bis(4-bromophenyl)-N-cyclohexylpyrazine-2-carboxamide

5,6-bis(4-bromophenyl)-N-cyclohexylpyrazine-2-carboxamide (PubChem CID 10217960) has the molecular formula C23H21Br2N3O and a molecular weight of 515.25 g/mol. Its IUPAC name is 5,6-bis(4-bromophenyl)-N-cyclohexylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5,6-bis(4-bromophenyl)-N-cyclohexylpyrazine-2-carboxamide
PubChem CID10217960
Molecular FormulaC23H21Br2N3O
Molecular Weight515.25 g/mol
Exact Mass513.01
IUPAC Name5,6-bis(4-bromophenyl)-N-cyclohexylpyrazine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1
InChIInChI=1S/C23H21Br2N3O/c24-17-10-6-15(7-11-17)21-22(16-8-12-18(25)13-9-16)28-20(14-26-21)23(29)27-19-4-2-1-3-5-19/h6-14,19H,1-5H2,(H,27,29)
InChIKeyMVJXAVCGHLLTTE-UHFFFAOYSA-N
XLogP6.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.25
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-bromophenyl)-N-cyclohexylpyrazine-2-carboxamide?
The IUPAC name of 5,6-bis(4-bromophenyl)-N-cyclohexylpyrazine-2-carboxamide (CID 10217960) is 5,6-bis(4-bromophenyl)-N-cyclohexylpyrazine-2-carboxamide.
What is the SMILES notation for 5,6-bis(4-bromophenyl)-N-cyclohexylpyrazine-2-carboxamide?
The canonical SMILES for 5,6-bis(4-bromophenyl)-N-cyclohexylpyrazine-2-carboxamide is O=C(NC1CCCCC1)c1cnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1.
What is the InChIKey of 5,6-bis(4-bromophenyl)-N-cyclohexylpyrazine-2-carboxamide?
The InChIKey is MVJXAVCGHLLTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Br2N3O/c24-17-10-6-15(7-11-17)21-22(16-8-12-18(25)13-9-16)28-20(14-26-21)23(29)27-19-4-2-1-3-5-19/h6-14,19H,1-5H2,(H,27,29).
What are the key properties of 5,6-bis(4-bromophenyl)-N-cyclohexylpyrazine-2-carboxamide?
5,6-bis(4-bromophenyl)-N-cyclohexylpyrazine-2-carboxamide has a molecular weight of 515.25 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-bromophenyl)-N-cyclohexylpyrazine-2-carboxamide is sourced from PubChem (CID 10217960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).