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

C24H19Cl2N3O2 — CID 58961579

IUPACN-[2-[[6-(2-chlorophenyl)-5-(4-chlorophenyl)-3-cyano-2-pyridinyl]oxy]ethyl]cyclopropanecarboxamide
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)nc1OCCNC(=O)C1CC1
InChIInChI=1S/C24H19Cl2N3O2/c25-18-9-7-15(8-10-18)20-13-17(14-27)24(31-12-11-28-23(30)16-5-6-16)29-22(20)19-3-1-2-4-21(19)26/h1-4,7-10,13,16H,5-6,11-12H2,(H,28,30)
InChIKeyQXAHQDXOJJGMTF-UHFFFAOYSA-N
MW452.34 g/mol
LogP5.50
Rot. Bonds7

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

N-[2-[[6-(2-chlorophenyl)-5-(4-chlorophenyl)-3-cyano-2-pyridinyl]oxy]ethyl]cyclopropanecarboxamide (PubChem CID 58961579) has the molecular formula C24H19Cl2N3O2 and a molecular weight of 452.34 g/mol. Its IUPAC name is N-[2-[[6-(2-chlorophenyl)-5-(4-chlorophenyl)-3-cyano-2-pyridinyl]oxy]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[6-(2-chlorophenyl)-5-(4-chlorophenyl)-3-cyano-2-pyridinyl]oxy]ethyl]cyclopropanecarboxamide
PubChem CID58961579
Molecular FormulaC24H19Cl2N3O2
Molecular Weight452.34 g/mol
Exact Mass451.09
IUPAC NameN-[2-[[6-(2-chlorophenyl)-5-(4-chlorophenyl)-3-cyano-2-pyridinyl]oxy]ethyl]cyclopropanecarboxamide
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)nc1OCCNC(=O)C1CC1
InChIInChI=1S/C24H19Cl2N3O2/c25-18-9-7-15(8-10-18)20-13-17(14-27)24(31-12-11-28-23(30)16-5-6-16)29-22(20)19-3-1-2-4-21(19)26/h1-4,7-10,13,16H,5-6,11-12H2,(H,28,30)
InChIKeyQXAHQDXOJJGMTF-UHFFFAOYSA-N
XLogP5.50
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.34
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

N-[2-[[5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)-2-pyridinyl]oxy]ethyl]cyclobutanecarboxamide
CID 10152346
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-(4-methoxyphenoxy)pyridine-3-carbonitrile
CID 10311022
N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxamide
CID 170505512
1-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109148526
methyl 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxylate
CID 67019992
N-[2-[[2-(2-phenylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 51153241
4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673180
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile
CID 91428194
6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
CID 11993502
1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 26903277
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(2-chlorophenyl)-5-(4-chlorophenyl)-3-cyano-2-pyridinyl]oxy]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[6-(2-chlorophenyl)-5-(4-chlorophenyl)-3-cyano-2-pyridinyl]oxy]ethyl]cyclopropanecarboxamide (CID 58961579) is N-[2-[[6-(2-chlorophenyl)-5-(4-chlorophenyl)-3-cyano-2-pyridinyl]oxy]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[6-(2-chlorophenyl)-5-(4-chlorophenyl)-3-cyano-2-pyridinyl]oxy]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[6-(2-chlorophenyl)-5-(4-chlorophenyl)-3-cyano-2-pyridinyl]oxy]ethyl]cyclopropanecarboxamide is N#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)nc1OCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[[6-(2-chlorophenyl)-5-(4-chlorophenyl)-3-cyano-2-pyridinyl]oxy]ethyl]cyclopropanecarboxamide?
The InChIKey is QXAHQDXOJJGMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O2/c25-18-9-7-15(8-10-18)20-13-17(14-27)24(31-12-11-28-23(30)16-5-6-16)29-22(20)19-3-1-2-4-21(19)26/h1-4,7-10,13,16H,5-6,11-12H2,(H,28,30).
What are the key properties of N-[2-[[6-(2-chlorophenyl)-5-(4-chlorophenyl)-3-cyano-2-pyridinyl]oxy]ethyl]cyclopropanecarboxamide?
N-[2-[[6-(2-chlorophenyl)-5-(4-chlorophenyl)-3-cyano-2-pyridinyl]oxy]ethyl]cyclopropanecarboxamide has a molecular weight of 452.34 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(2-chlorophenyl)-5-(4-chlorophenyl)-3-cyano-2-pyridinyl]oxy]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 58961579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).