1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-diethylpyrrolidin-3-amine

C24H26Cl2N4 — CID 143313402

IUPAC1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)C1
InChIInChI=1S/C24H26Cl2N4/c1-3-29(4-2)21-13-14-30(16-21)22-15-27-23(17-5-9-19(25)10-6-17)24(28-22)18-7-11-20(26)12-8-18/h5-12,15,21H,3-4,13-14,16H2,1-2H3
InChIKeyNBHVHDGYIKMFBU-UHFFFAOYSA-N
MW441.41 g/mol
LogP6.04
Rot. Bonds6

About 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-diethylpyrrolidin-3-amine

1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 143313402) has the molecular formula C24H26Cl2N4 and a molecular weight of 441.41 g/mol. Its IUPAC name is 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-diethylpyrrolidin-3-amine
PubChem CID143313402
Molecular FormulaC24H26Cl2N4
Molecular Weight441.41 g/mol
Exact Mass440.15
IUPAC Name1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)C1
InChIInChI=1S/C24H26Cl2N4/c1-3-29(4-2)21-13-14-30(16-21)22-15-27-23(17-5-9-19(25)10-6-17)24(28-22)18-7-11-20(26)12-8-18/h5-12,15,21H,3-4,13-14,16H2,1-2H3
InChIKeyNBHVHDGYIKMFBU-UHFFFAOYSA-N
XLogP6.04
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.41
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-diethylpyrrolidin-3-amine (CID 143313402) is 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)C1.
What is the InChIKey of 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is NBHVHDGYIKMFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4/c1-3-29(4-2)21-13-14-30(16-21)22-15-27-23(17-5-9-19(25)10-6-17)24(28-22)18-7-11-20(26)12-8-18/h5-12,15,21H,3-4,13-14,16H2,1-2H3.
What are the key properties of 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-diethylpyrrolidin-3-amine?
1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 441.41 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 143313402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).