4-[2-[[3-cyano-6-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]benzamide

C28H21Cl2N3O2 — CID 90962459

IUPAC4-[2-[[3-cyano-6-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]benzamide
SMILESCc1ccc(-c2cc(C#N)c(OCCc3ccc(C(N)=O)cc3)nc2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C28H21Cl2N3O2/c1-17-2-6-19(7-3-17)24-14-21(16-31)28(33-26(24)23-11-10-22(29)15-25(23)30)35-13-12-18-4-8-20(9-5-18)27(32)34/h2-11,14-15H,12-13H2,1H3,(H2,32,34)
InChIKeySDICTFJRDWOVPL-UHFFFAOYSA-N
MW502.40 g/mol
LogP6.62
Rot. Bonds7

About 4-[2-[[3-cyano-6-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]benzamide

4-[2-[[3-cyano-6-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]benzamide (PubChem CID 90962459) has the molecular formula C28H21Cl2N3O2 and a molecular weight of 502.40 g/mol. Its IUPAC name is 4-[2-[[3-cyano-6-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]benzamide.

Molecular Properties

Compound Name4-[2-[[3-cyano-6-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]benzamide
PubChem CID90962459
Molecular FormulaC28H21Cl2N3O2
Molecular Weight502.40 g/mol
Exact Mass501.10
IUPAC Name4-[2-[[3-cyano-6-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]benzamide
SMILESCc1ccc(-c2cc(C#N)c(OCCc3ccc(C(N)=O)cc3)nc2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C28H21Cl2N3O2/c1-17-2-6-19(7-3-17)24-14-21(16-31)28(33-26(24)23-11-10-22(29)15-25(23)30)35-13-12-18-4-8-20(9-5-18)27(32)34/h2-11,14-15H,12-13H2,1H3,(H2,32,34)
InChIKeySDICTFJRDWOVPL-UHFFFAOYSA-N
XLogP6.62
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.40
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[[3-cyano-6-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]benzamide with MolForge

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Related Compounds

5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carbonitrile
CID 11202865
N-[2-[[5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)-2-pyridinyl]oxy]ethyl]cyclobutanecarboxamide
CID 10152346
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile
CID 10311022
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile
CID 68719045
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile
CID 91428194
N-[2-[[6-(2-chlorophenyl)-5-(4-chlorophenyl)-3-cyano-2-pyridinyl]oxy]ethyl]cyclopropanecarboxamide
CID 58961579
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3-fluorophenoxy)pyridine-3-carbonitrile
CID 10151871
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-ethylpyridine-3-carboxamide
CID 10311846
5-(4-chlorophenyl)-2-(3-cyano-2-oxo-1-pyridinyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile
CID 69415174
5-cyano-4-(2,4-dichlorophenyl)-6-methylpyridine-2-carboxamide
CID 53322742
6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile
CID 68718291
ethyl 3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridine-2-carboxylate
CID 10479445

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3-cyano-6-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]benzamide?
The IUPAC name of 4-[2-[[3-cyano-6-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]benzamide (CID 90962459) is 4-[2-[[3-cyano-6-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]benzamide.
What is the SMILES notation for 4-[2-[[3-cyano-6-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]benzamide?
The canonical SMILES for 4-[2-[[3-cyano-6-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]benzamide is Cc1ccc(-c2cc(C#N)c(OCCc3ccc(C(N)=O)cc3)nc2-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[2-[[3-cyano-6-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]benzamide?
The InChIKey is SDICTFJRDWOVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21Cl2N3O2/c1-17-2-6-19(7-3-17)24-14-21(16-31)28(33-26(24)23-11-10-22(29)15-25(23)30)35-13-12-18-4-8-20(9-5-18)27(32)34/h2-11,14-15H,12-13H2,1H3,(H2,32,34).
What are the key properties of 4-[2-[[3-cyano-6-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]benzamide?
4-[2-[[3-cyano-6-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]benzamide has a molecular weight of 502.40 g/mol, XLogP of 6.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3-cyano-6-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]benzamide is sourced from PubChem (CID 90962459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).