2-[(E)-5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentylideneamino]pyridin-3-ol

C20H24Cl2N4O — CID 11350302

IUPAC2-[(E)-5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentylideneamino]pyridin-3-ol
SMILESOc1cccnc1/N=C/CCCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C20H24Cl2N4O/c21-16-6-4-7-17(19(16)22)26-14-12-25(13-15-26)11-3-1-2-9-23-20-18(27)8-5-10-24-20/h4-10,27H,1-3,11-15H2/b23-9+
InChIKeyRWJLLBWXQUIDKJ-NUGSKGIGSA-N
MW407.35 g/mol
LogP4.79
Rot. Bonds7

About 2-[(E)-5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentylideneamino]pyridin-3-ol

2-[(E)-5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentylideneamino]pyridin-3-ol (PubChem CID 11350302) has the molecular formula C20H24Cl2N4O and a molecular weight of 407.35 g/mol. Its IUPAC name is 2-[(E)-5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentylideneamino]pyridin-3-ol.

Molecular Properties

Compound Name2-[(E)-5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentylideneamino]pyridin-3-ol
PubChem CID11350302
Molecular FormulaC20H24Cl2N4O
Molecular Weight407.35 g/mol
Exact Mass406.13
IUPAC Name2-[(E)-5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentylideneamino]pyridin-3-ol
SMILESOc1cccnc1/N=C/CCCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C20H24Cl2N4O/c21-16-6-4-7-17(19(16)22)26-14-12-25(13-15-26)11-3-1-2-9-23-20-18(27)8-5-10-24-20/h4-10,27H,1-3,11-15H2/b23-9+
InChIKeyRWJLLBWXQUIDKJ-NUGSKGIGSA-N
XLogP4.79
TPSA51.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine
CID 142689415
8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline
CID 50943740
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
2-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]pyridine-3-carboxylic acid
CID 50954565
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(4-pyridin-2-ylphenyl)pentanamide
CID 162344971
2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butylideneamino]-2H-pyridin-3-one
CID 71188435
2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione;hydrochloride
CID 16752492
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452
[5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-2-yl]methanol
CID 90644227
5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-quinolin-2-ylpentanamide
CID 162787951
1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine
CID 146025635

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentylideneamino]pyridin-3-ol?
The IUPAC name of 2-[(E)-5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentylideneamino]pyridin-3-ol (CID 11350302) is 2-[(E)-5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentylideneamino]pyridin-3-ol.
What is the SMILES notation for 2-[(E)-5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentylideneamino]pyridin-3-ol?
The canonical SMILES for 2-[(E)-5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentylideneamino]pyridin-3-ol is Oc1cccnc1/N=C/CCCCN1CCN(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 2-[(E)-5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentylideneamino]pyridin-3-ol?
The InChIKey is RWJLLBWXQUIDKJ-NUGSKGIGSA-N. The full InChI is InChI=1S/C20H24Cl2N4O/c21-16-6-4-7-17(19(16)22)26-14-12-25(13-15-26)11-3-1-2-9-23-20-18(27)8-5-10-24-20/h4-10,27H,1-3,11-15H2/b23-9+.
What are the key properties of 2-[(E)-5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentylideneamino]pyridin-3-ol?
2-[(E)-5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentylideneamino]pyridin-3-ol has a molecular weight of 407.35 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentylideneamino]pyridin-3-ol is sourced from PubChem (CID 11350302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).