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

C22H20Cl2N4O — CID 10238098

IUPAC5,6-bis(2-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide
SMILESO=C(NN1CCCCC1)c1cnc(-c2ccccc2Cl)c(-c2ccccc2Cl)n1
InChIInChI=1S/C22H20Cl2N4O/c23-17-10-4-2-8-15(17)20-21(16-9-3-5-11-18(16)24)26-19(14-25-20)22(29)27-28-12-6-1-7-13-28/h2-5,8-11,14H,1,6-7,12-13H2,(H,27,29)
InChIKeySELNPJHTVVHETF-UHFFFAOYSA-N
MW427.34 g/mol
LogP5.25
Rot. Bonds4

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

5,6-bis(2-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide (PubChem CID 10238098) has the molecular formula C22H20Cl2N4O and a molecular weight of 427.34 g/mol. Its IUPAC name is 5,6-bis(2-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5,6-bis(2-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide
PubChem CID10238098
Molecular FormulaC22H20Cl2N4O
Molecular Weight427.34 g/mol
Exact Mass426.10
IUPAC Name5,6-bis(2-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide
SMILESO=C(NN1CCCCC1)c1cnc(-c2ccccc2Cl)c(-c2ccccc2Cl)n1
InChIInChI=1S/C22H20Cl2N4O/c23-17-10-4-2-8-15(17)20-21(16-9-3-5-11-18(16)24)26-19(14-25-20)22(29)27-28-12-6-1-7-13-28/h2-5,8-11,14H,1,6-7,12-13H2,(H,27,29)
InChIKeySELNPJHTVVHETF-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(2-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide?
The IUPAC name of 5,6-bis(2-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide (CID 10238098) is 5,6-bis(2-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5,6-bis(2-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide?
The canonical SMILES for 5,6-bis(2-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide is O=C(NN1CCCCC1)c1cnc(-c2ccccc2Cl)c(-c2ccccc2Cl)n1.
What is the InChIKey of 5,6-bis(2-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide?
The InChIKey is SELNPJHTVVHETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O/c23-17-10-4-2-8-15(17)20-21(16-9-3-5-11-18(16)24)26-19(14-25-20)22(29)27-28-12-6-1-7-13-28/h2-5,8-11,14H,1,6-7,12-13H2,(H,27,29).
What are the key properties of 5,6-bis(2-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide?
5,6-bis(2-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(2-chlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 10238098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).