ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-2-methylanilino)acetate

C26H25N3O4 — CID 2817064

IUPACethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-2-methylanilino)acetate
SMILESCCOC(=O)CN(C(=O)COc1nc(-c2ccccc2)cc(C)c1C#N)c1ccccc1C
InChIInChI=1S/C26H25N3O4/c1-4-32-25(31)16-29(23-13-9-8-10-18(23)2)24(30)17-33-26-21(15-27)19(3)14-22(28-26)20-11-6-5-7-12-20/h5-14H,4,16-17H2,1-3H3
InChIKeyPFVYUZAWOKNYCY-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.21
Rot. Bonds8

About ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-2-methylanilino)acetate

ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-2-methylanilino)acetate (PubChem CID 2817064) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-2-methylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-2-methylanilino)acetate
PubChem CID2817064
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Nameethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-2-methylanilino)acetate
SMILESCCOC(=O)CN(C(=O)COc1nc(-c2ccccc2)cc(C)c1C#N)c1ccccc1C
InChIInChI=1S/C26H25N3O4/c1-4-32-25(31)16-29(23-13-9-8-10-18(23)2)24(30)17-33-26-21(15-27)19(3)14-22(28-26)20-11-6-5-7-12-20/h5-14H,4,16-17H2,1-3H3
InChIKeyPFVYUZAWOKNYCY-UHFFFAOYSA-N
XLogP4.21
TPSA92.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-2-methylanilino)acetate with MolForge

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Related Compounds

2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-phenylacetamide
CID 2810109
Ethyl 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]acetate
CID 2813721
Ethyl 2-(4-chloro{2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetyl}anilino)acetate
CID 2817004
Ethyl 2-({2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl}anilino)acetate
CID 2817067
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-ethyl-N-(3-methylphenyl)acetamide
CID 168270213
4-[2-(2-Morpholin-4-yl-2-oxoethoxy)quinolin-6-yl]oxybenzonitrile
CID 168272440
2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-ethyl-N-(3-methylphenyl)acetamide
CID 168276019
2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-N-ethyl-N-(3-methylphenyl)acetamide
CID 168277237
N-ethyl-N-(3-methylphenyl)-2-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]acetamide
CID 168281454
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-ethyl-N-phenylacetamide
CID 17088130
3-Cyano-2-ethoxy-4,6-diphenylpyridine
CID 678560
Ethyl 2-({2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetyl}-4-fluoroanilino)acetate
CID 2817002

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-2-methylanilino)acetate?
The IUPAC name of ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-2-methylanilino)acetate (CID 2817064) is ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-2-methylanilino)acetate.
What is the SMILES notation for ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-2-methylanilino)acetate?
The canonical SMILES for ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-2-methylanilino)acetate is CCOC(=O)CN(C(=O)COc1nc(-c2ccccc2)cc(C)c1C#N)c1ccccc1C.
What is the InChIKey of ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-2-methylanilino)acetate?
The InChIKey is PFVYUZAWOKNYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-4-32-25(31)16-29(23-13-9-8-10-18(23)2)24(30)17-33-26-21(15-27)19(3)14-22(28-26)20-11-6-5-7-12-20/h5-14H,4,16-17H2,1-3H3.
What are the key properties of ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-2-methylanilino)acetate?
ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-2-methylanilino)acetate has a molecular weight of 443.50 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-2-methylanilino)acetate is sourced from PubChem (CID 2817064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).