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

C22H20Cl2N4O — CID 10216596

IUPAC5,6-bis(4-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide
SMILESO=C(NN1CCCCC1)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C22H20Cl2N4O/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)
InChIKeyFBMFLCCMSCORDS-UHFFFAOYSA-N
MW427.34 g/mol
LogP5.25
Rot. Bonds4

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

5,6-bis(4-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide (PubChem CID 10216596) has the molecular formula C22H20Cl2N4O and a molecular weight of 427.34 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5,6-bis(4-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide
PubChem CID10216596
Molecular FormulaC22H20Cl2N4O
Molecular Weight427.34 g/mol
Exact Mass426.10
IUPAC Name5,6-bis(4-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide
SMILESO=C(NN1CCCCC1)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C22H20Cl2N4O/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)
InChIKeyFBMFLCCMSCORDS-UHFFFAOYSA-N
XLogP5.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.34
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide?
The IUPAC name of 5,6-bis(4-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide (CID 10216596) is 5,6-bis(4-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5,6-bis(4-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide?
The canonical SMILES for 5,6-bis(4-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide is O=C(NN1CCCCC1)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 5,6-bis(4-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide?
The InChIKey is FBMFLCCMSCORDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O/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-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide?
5,6-bis(4-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide has a molecular weight of 427.34 g/mol, XLogP of 5.25, 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-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 10216596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).