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

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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).