5,6-bis(4-bromophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide

C22H20Br2N4O — CID 10174641

IUPAC5,6-bis(4-bromophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide
SMILESO=C(NN1CCCCC1)c1cnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1
InChIInChI=1S/C22H20Br2N4O/c23-17-8-4-15(5-9-17)20-21(16-6-10-18(24)11-7-16)26-19(14-25-20)22(29)27-28-12-2-1-3-13-28/h4-11,14H,1-3,12-13H2,(H,27,29)
InChIKeyKTHRWPCGPDGGSF-UHFFFAOYSA-N
MW516.24 g/mol
LogP5.47
Rot. Bonds4

About 5,6-bis(4-bromophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide

5,6-bis(4-bromophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide (PubChem CID 10174641) has the molecular formula C22H20Br2N4O and a molecular weight of 516.24 g/mol. Its IUPAC name is 5,6-bis(4-bromophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5,6-bis(4-bromophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide
PubChem CID10174641
Molecular FormulaC22H20Br2N4O
Molecular Weight516.24 g/mol
Exact Mass514.00
IUPAC Name5,6-bis(4-bromophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide
SMILESO=C(NN1CCCCC1)c1cnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1
InChIInChI=1S/C22H20Br2N4O/c23-17-8-4-15(5-9-17)20-21(16-6-10-18(24)11-7-16)26-19(14-25-20)22(29)27-28-12-2-1-3-13-28/h4-11,14H,1-3,12-13H2,(H,27,29)
InChIKeyKTHRWPCGPDGGSF-UHFFFAOYSA-N
XLogP5.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.24
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-piperidinyl)-5,6-diphenyl-2-pyrazinecarboxamide
CID 9906800
N-(piperidin-1-yl)-5,6-dip-tolylpyrazine-2-carboxamide
CID 10126513
5,6-bis(4-chlorophenyl)-N-(piperidin-1-yl)pyrazine-2-carboxamide
CID 10216596
5,6-Diaryl-pyrazine-2-amide derivative, 6a
CID 10217960
5,6-bis(2-chlorophenyl)-N-(piperidin-1-yl)pyrazine-2-carboxamide
CID 10238098
N''-(4-bromobenzoyl)-5-methyl-pyrazinohydrazide
CID 2711880
N-[(Z)-1-(3-bromophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 7420745
N'-[(E)-(3-bromophenyl)methylidene]-2-pyrazinecarbohydrazide
CID 5341406
N'-[(E)-(2-bromophenyl)methylidene]pyrazine-2-carbohydrazide
CID 5726221
(E)-N'-(4-bromobenzylidene)pyrazine-2-carbohydrazide
CID 6866164
N'-(1-(4-Bromophenyl)ethylidene)-2-pyrazinecarbohydrazide
CID 9611079
N-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-5-phenyl-pyrrol-1-yl]pyrazine-2-carboxamide
CID 6479844

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-bromophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide?
The IUPAC name of 5,6-bis(4-bromophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide (CID 10174641) is 5,6-bis(4-bromophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5,6-bis(4-bromophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide?
The canonical SMILES for 5,6-bis(4-bromophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide is O=C(NN1CCCCC1)c1cnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1.
What is the InChIKey of 5,6-bis(4-bromophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide?
The InChIKey is KTHRWPCGPDGGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Br2N4O/c23-17-8-4-15(5-9-17)20-21(16-6-10-18(24)11-7-16)26-19(14-25-20)22(29)27-28-12-2-1-3-13-28/h4-11,14H,1-3,12-13H2,(H,27,29).
What are the key properties of 5,6-bis(4-bromophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide?
5,6-bis(4-bromophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide has a molecular weight of 516.24 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-bromophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 10174641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).