2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide

C27H27N3O5 — CID 2483657

IUPAC2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOCCn1cc(C(=O)c2ccccc2OCC(=O)Nc2c(C)cc(C)cc2C)cc(C#N)c1=O
InChIInChI=1S/C27H27N3O5/c1-17-11-18(2)25(19(3)12-17)29-24(31)16-35-23-8-6-5-7-22(23)26(32)21-13-20(14-28)27(33)30(15-21)9-10-34-4/h5-8,11-13,15H,9-10,16H2,1-4H3,(H,29,31)
InChIKeyMHIYKFWVEBKMGG-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.54
Rot. Bonds9

About 2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide

2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 2483657) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is 2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID2483657
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC Name2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOCCn1cc(C(=O)c2ccccc2OCC(=O)Nc2c(C)cc(C)cc2C)cc(C#N)c1=O
InChIInChI=1S/C27H27N3O5/c1-17-11-18(2)25(19(3)12-17)29-24(31)16-35-23-8-6-5-7-22(23)26(32)21-13-20(14-28)27(33)30(15-21)9-10-34-4/h5-8,11-13,15H,9-10,16H2,1-4H3,(H,29,31)
InChIKeyMHIYKFWVEBKMGG-UHFFFAOYSA-N
XLogP3.54
TPSA110.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide (CID 2483657) is 2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide is COCCn1cc(C(=O)c2ccccc2OCC(=O)Nc2c(C)cc(C)cc2C)cc(C#N)c1=O.
What is the InChIKey of 2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is MHIYKFWVEBKMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5/c1-17-11-18(2)25(19(3)12-17)29-24(31)16-35-23-8-6-5-7-22(23)26(32)21-13-20(14-28)27(33)30(15-21)9-10-34-4/h5-8,11-13,15H,9-10,16H2,1-4H3,(H,29,31).
What are the key properties of 2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 473.53 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 2483657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).