2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]-N-(3-methylphenyl)acetamide

C27H21N3O2 — CID 127029780

IUPAC2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)c1
InChIInChI=1S/C27H21N3O2/c1-19-9-8-14-22(15-19)29-26(31)18-32-27-24(17-28)23(20-10-4-2-5-11-20)16-25(30-27)21-12-6-3-7-13-21/h2-16H,18H2,1H3,(H,29,31)
InChIKeyGHKJRLODIGJDBP-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.61
Rot. Bonds6

About 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]-N-(3-methylphenyl)acetamide

2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]-N-(3-methylphenyl)acetamide (PubChem CID 127029780) has the molecular formula C27H21N3O2 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]-N-(3-methylphenyl)acetamide
PubChem CID127029780
Molecular FormulaC27H21N3O2
Molecular Weight419.48 g/mol
Exact Mass419.16
IUPAC Name2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)c1
InChIInChI=1S/C27H21N3O2/c1-19-9-8-14-22(15-19)29-26(31)18-32-27-24(17-28)23(20-10-4-2-5-11-20)16-25(30-27)21-12-6-3-7-13-21/h2-16H,18H2,1H3,(H,29,31)
InChIKeyGHKJRLODIGJDBP-UHFFFAOYSA-N
XLogP5.61
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]-N-(3-methylphenyl)acetamide (CID 127029780) is 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)COc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)c1.
What is the InChIKey of 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]-N-(3-methylphenyl)acetamide?
The InChIKey is GHKJRLODIGJDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O2/c1-19-9-8-14-22(15-19)29-26(31)18-32-27-24(17-28)23(20-10-4-2-5-11-20)16-25(30-27)21-12-6-3-7-13-21/h2-16H,18H2,1H3,(H,29,31).
What are the key properties of 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]-N-(3-methylphenyl)acetamide?
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]-N-(3-methylphenyl)acetamide has a molecular weight of 419.48 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 127029780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).