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

C22H19Cl3N4O — CID 10151737

IUPAC6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide
SMILESO=C(NN1CCCCC1)c1cnc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C22H19Cl3N4O/c23-15-6-4-14(5-7-15)20-21(17-9-8-16(24)12-18(17)25)26-13-19(27-20)22(30)28-29-10-2-1-3-11-29/h4-9,12-13H,1-3,10-11H2,(H,28,30)
InChIKeyGGJLRNSPAGCZKZ-UHFFFAOYSA-N
MW461.78 g/mol
LogP5.90
Rot. Bonds4

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

6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide (PubChem CID 10151737) has the molecular formula C22H19Cl3N4O and a molecular weight of 461.78 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide
PubChem CID10151737
Molecular FormulaC22H19Cl3N4O
Molecular Weight461.78 g/mol
Exact Mass460.06
IUPAC Name6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide
SMILESO=C(NN1CCCCC1)c1cnc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C22H19Cl3N4O/c23-15-6-4-14(5-7-15)20-21(17-9-8-16(24)12-18(17)25)26-13-19(27-20)22(30)28-29-10-2-1-3-11-29/h4-9,12-13H,1-3,10-11H2,(H,28,30)
InChIKeyGGJLRNSPAGCZKZ-UHFFFAOYSA-N
XLogP5.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.78
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide (CID 10151737) is 6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide is O=C(NN1CCCCC1)c1cnc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide?
The InChIKey is GGJLRNSPAGCZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl3N4O/c23-15-6-4-14(5-7-15)20-21(17-9-8-16(24)12-18(17)25)26-13-19(27-20)22(30)28-29-10-2-1-3-11-29/h4-9,12-13H,1-3,10-11H2,(H,28,30).
What are the key properties of 6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide?
6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide has a molecular weight of 461.78 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 10151737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).