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

C23H21Cl2N3O — CID 10173396

IUPAC5,6-bis(4-chlorophenyl)-N-cyclohexylpyrazine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H21Cl2N3O/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)
InChIKeyFDSVRRAVMKJSOK-UHFFFAOYSA-N
MW426.35 g/mol
LogP6.18
Rot. Bonds4

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

5,6-bis(4-chlorophenyl)-N-cyclohexylpyrazine-2-carboxamide (PubChem CID 10173396) has the molecular formula C23H21Cl2N3O and a molecular weight of 426.35 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)-N-cyclohexylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5,6-bis(4-chlorophenyl)-N-cyclohexylpyrazine-2-carboxamide
PubChem CID10173396
Molecular FormulaC23H21Cl2N3O
Molecular Weight426.35 g/mol
Exact Mass425.11
IUPAC Name5,6-bis(4-chlorophenyl)-N-cyclohexylpyrazine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H21Cl2N3O/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)
InChIKeyFDSVRRAVMKJSOK-UHFFFAOYSA-N
XLogP6.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.35
LogP ≤ 56.18
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-chlorophenyl)-N-cyclohexylpyrazine-2-carboxamide?
The IUPAC name of 5,6-bis(4-chlorophenyl)-N-cyclohexylpyrazine-2-carboxamide (CID 10173396) is 5,6-bis(4-chlorophenyl)-N-cyclohexylpyrazine-2-carboxamide.
What is the SMILES notation for 5,6-bis(4-chlorophenyl)-N-cyclohexylpyrazine-2-carboxamide?
The canonical SMILES for 5,6-bis(4-chlorophenyl)-N-cyclohexylpyrazine-2-carboxamide is O=C(NC1CCCCC1)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 5,6-bis(4-chlorophenyl)-N-cyclohexylpyrazine-2-carboxamide?
The InChIKey is FDSVRRAVMKJSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O/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-chlorophenyl)-N-cyclohexylpyrazine-2-carboxamide?
5,6-bis(4-chlorophenyl)-N-cyclohexylpyrazine-2-carboxamide has a molecular weight of 426.35 g/mol, XLogP of 6.18, 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-chlorophenyl)-N-cyclohexylpyrazine-2-carboxamide is sourced from PubChem (CID 10173396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).