N-[2-[[5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)-2-pyridinyl]oxy]ethyl]cyclobutanecarboxamide

C25H20Cl3N3O2 — CID 10152346

IUPACN-[2-[[5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)-2-pyridinyl]oxy]ethyl]cyclobutanecarboxamide
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCCNC(=O)C1CCC1
InChIInChI=1S/C25H20Cl3N3O2/c26-18-6-4-15(5-7-18)21-12-17(14-29)25(33-11-10-30-24(32)16-2-1-3-16)31-23(21)20-9-8-19(27)13-22(20)28/h4-9,12-13,16H,1-3,10-11H2,(H,30,32)
InChIKeyAYYXHEXYNSQCSS-UHFFFAOYSA-N
MW500.81 g/mol
LogP6.54
Rot. Bonds7

About N-[2-[[5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)-2-pyridinyl]oxy]ethyl]cyclobutanecarboxamide

N-[2-[[5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)-2-pyridinyl]oxy]ethyl]cyclobutanecarboxamide (PubChem CID 10152346) has the molecular formula C25H20Cl3N3O2 and a molecular weight of 500.81 g/mol. Its IUPAC name is N-[2-[[5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)-2-pyridinyl]oxy]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[[5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)-2-pyridinyl]oxy]ethyl]cyclobutanecarboxamide
PubChem CID10152346
Molecular FormulaC25H20Cl3N3O2
Molecular Weight500.81 g/mol
Exact Mass499.06
IUPAC NameN-[2-[[5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)-2-pyridinyl]oxy]ethyl]cyclobutanecarboxamide
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCCNC(=O)C1CCC1
InChIInChI=1S/C25H20Cl3N3O2/c26-18-6-4-15(5-7-18)21-12-17(14-29)25(33-11-10-30-24(32)16-2-1-3-16)31-23(21)20-9-8-19(27)13-22(20)28/h4-9,12-13,16H,1-3,10-11H2,(H,30,32)
InChIKeyAYYXHEXYNSQCSS-UHFFFAOYSA-N
XLogP6.54
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.81
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[[5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)-2-pyridinyl]oxy]ethyl]cyclobutanecarboxamide with MolForge

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Related Compounds

N-[2-[[6-(2-chlorophenyl)-5-(4-chlorophenyl)-3-cyano-2-pyridinyl]oxy]ethyl]cyclopropanecarboxamide
CID 58961579
4-[2-[[3-cyano-6-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]benzamide
CID 90962459
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carbonitrile
CID 11202865
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile
CID 68719045
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile
CID 10311022
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile
CID 91428194
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3-fluorophenoxy)pyridine-3-carbonitrile
CID 10151871
5-(4-chlorophenyl)-2-(3-cyano-2-oxo-1-pyridinyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile
CID 69415174
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide;dihydrochloride
CID 119900807
4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673180
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 4897572
1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide
CID 133286024

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)-2-pyridinyl]oxy]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[[5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)-2-pyridinyl]oxy]ethyl]cyclobutanecarboxamide (CID 10152346) is N-[2-[[5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)-2-pyridinyl]oxy]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[[5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)-2-pyridinyl]oxy]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[[5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)-2-pyridinyl]oxy]ethyl]cyclobutanecarboxamide is N#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCCNC(=O)C1CCC1.
What is the InChIKey of N-[2-[[5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)-2-pyridinyl]oxy]ethyl]cyclobutanecarboxamide?
The InChIKey is AYYXHEXYNSQCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl3N3O2/c26-18-6-4-15(5-7-18)21-12-17(14-29)25(33-11-10-30-24(32)16-2-1-3-16)31-23(21)20-9-8-19(27)13-22(20)28/h4-9,12-13,16H,1-3,10-11H2,(H,30,32).
What are the key properties of N-[2-[[5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)-2-pyridinyl]oxy]ethyl]cyclobutanecarboxamide?
N-[2-[[5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)-2-pyridinyl]oxy]ethyl]cyclobutanecarboxamide has a molecular weight of 500.81 g/mol, XLogP of 6.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)-2-pyridinyl]oxy]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 10152346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).