2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-phenylacetamide

C21H17N3O3 — CID 168586245

IUPAC2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-phenylacetamide
SMILESCc1cc(-c2ccccc2OCC(=O)Nc2ccccc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C21H17N3O3/c1-14-11-17(18(12-22)21(26)23-14)16-9-5-6-10-19(16)27-13-20(25)24-15-7-3-2-4-8-15/h2-11H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeySLHYCGCGMGUDHM-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.24
Rot. Bonds5

About 2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-phenylacetamide

2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-phenylacetamide (PubChem CID 168586245) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-phenylacetamide
PubChem CID168586245
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-phenylacetamide
SMILESCc1cc(-c2ccccc2OCC(=O)Nc2ccccc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C21H17N3O3/c1-14-11-17(18(12-22)21(26)23-14)16-9-5-6-10-19(16)27-13-20(25)24-15-7-3-2-4-8-15/h2-11H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeySLHYCGCGMGUDHM-UHFFFAOYSA-N
XLogP3.24
TPSA94.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 168586244
2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-phenylacetamide
CID 168586167
2-[4-bromo-2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 168586237
2-[2-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-6-ethoxyphenoxy]-N-phenylacetamide
CID 168586173
4-[2-(cyclopropylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585130
2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(4-ethoxyphenyl)acetamide
CID 168586168
2-[5-bromo-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 168586301
2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 168586212
6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585987
2-(5-cyano-2-methylphenoxy)-N-phenylacetamide
CID 103760055
6-methyl-4-(4-methyl-2-phenylmethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 168585258
4-(2-cyclopentyloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587268

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-phenylacetamide (CID 168586245) is 2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-phenylacetamide is Cc1cc(-c2ccccc2OCC(=O)Nc2ccccc2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-phenylacetamide?
The InChIKey is SLHYCGCGMGUDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-14-11-17(18(12-22)21(26)23-14)16-9-5-6-10-19(16)27-13-20(25)24-15-7-3-2-4-8-15/h2-11H,13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-phenylacetamide?
2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-phenylacetamide has a molecular weight of 359.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-phenylacetamide is sourced from PubChem (CID 168586245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).