6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile

C17H14Cl2N4O — CID 110645070

IUPAC6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc1
InChIInChI=1S/C17H14Cl2N4O/c18-13-2-3-14(15(19)9-13)17(24)23-7-5-22(6-8-23)16-4-1-12(10-20)11-21-16/h1-4,9,11H,5-8H2
InChIKeyQXQCDMPGJOWDEN-UHFFFAOYSA-N
MW361.23 g/mol
LogP3.22
Rot. Bonds2

About 6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile

6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 110645070) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is 6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID110645070
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC Name6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc1
InChIInChI=1S/C17H14Cl2N4O/c18-13-2-3-14(15(19)9-13)17(24)23-7-5-22(6-8-23)16-4-1-12(10-20)11-21-16/h1-4,9,11H,5-8H2
InChIKeyQXQCDMPGJOWDEN-UHFFFAOYSA-N
XLogP3.22
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 110420694
4-acetyl-3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]benzonitrile
CID 133456096
5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053000
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 34010287
N-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide
CID 2746538
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849
6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 60551458
N-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-methylbenzamide
CID 42850069
6-[4-(4-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110420683
6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 31662337
6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 24989747
6-[4-[2-[(2-methylpropan-2-yl)oxy]-5-methylsulfonylbenzoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 69290780

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 110645070) is 6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc1.
What is the InChIKey of 6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is QXQCDMPGJOWDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c18-13-2-3-14(15(19)9-13)17(24)23-7-5-22(6-8-23)16-4-1-12(10-20)11-21-16/h1-4,9,11H,5-8H2.
What are the key properties of 6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 361.23 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 110645070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).