5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile

C10H9ClN4O — CID 122160364

IUPAC5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(N2CCNC(=O)C2)c(Cl)c1
InChIInChI=1S/C10H9ClN4O/c11-8-3-7(4-12)5-14-10(8)15-2-1-13-9(16)6-15/h3,5H,1-2,6H2,(H,13,16)
InChIKeyAAVYAZYOYLZBTG-UHFFFAOYSA-N
MW236.66 g/mol
LogP0.54
Rot. Bonds1

About 5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile

5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile (PubChem CID 122160364) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile
PubChem CID122160364
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(N2CCNC(=O)C2)c(Cl)c1
InChIInChI=1S/C10H9ClN4O/c11-8-3-7(4-12)5-14-10(8)15-2-1-13-9(16)6-15/h3,5H,1-2,6H2,(H,13,16)
InChIKeyAAVYAZYOYLZBTG-UHFFFAOYSA-N
XLogP0.54
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-oxopiperazin-1-yl)pyrazine-2-carbonitrile
CID 62685201
5-chloro-6-(3-oxo-1,4-diazepan-1-yl)pyridine-3-carboxylic acid
CID 65363492
4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-2-one
CID 102762375
4-[3,5-dichloro-6-(methylamino)-2-pyridinyl]piperazin-2-one
CID 102755341
4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]piperazin-2-one
CID 102755342
4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-2-one
CID 104918758
4-(5-aminopyrimidin-4-yl)piperazin-2-one
CID 79910176
4-(7-chloroquinazolin-4-yl)piperazin-2-one
CID 24507988
3-chloro-4-[(3-oxopiperazin-1-yl)methyl]benzonitrile
CID 102665268
6-cyano-2-(3-oxopiperazin-1-yl)pyridine-3-carboxylic acid
CID 155342249
4-(4-amino-2,6-dichlorophenyl)piperazin-2-one
CID 106889764
4-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperazin-2-one
CID 63734938

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile (CID 122160364) is 5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile is N#Cc1cnc(N2CCNC(=O)C2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile?
The InChIKey is AAVYAZYOYLZBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-8-3-7(4-12)5-14-10(8)15-2-1-13-9(16)6-15/h3,5H,1-2,6H2,(H,13,16).
What are the key properties of 5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile?
5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile has a molecular weight of 236.66 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 122160364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).