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

C26H25N3O4 — CID 2816987

IUPACethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-4-methylanilino)acetate
SMILESCCOC(=O)CN(C(=O)COc1nc(-c2ccccc2)cc(C)c1C#N)c1ccc(C)cc1
InChIInChI=1S/C26H25N3O4/c1-4-32-25(31)16-29(21-12-10-18(2)11-13-21)24(30)17-33-26-22(15-27)19(3)14-23(28-26)20-8-6-5-7-9-20/h5-14H,4,16-17H2,1-3H3
InChIKeyIKOKLCWZHTUEFV-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]-4-methylanilino)acetate

ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-4-methylanilino)acetate (PubChem CID 2816987) 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]-4-methylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-4-methylanilino)acetate
PubChem CID2816987
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]-4-methylanilino)acetate
SMILESCCOC(=O)CN(C(=O)COc1nc(-c2ccccc2)cc(C)c1C#N)c1ccc(C)cc1
InChIInChI=1S/C26H25N3O4/c1-4-32-25(31)16-29(21-12-10-18(2)11-13-21)24(30)17-33-26-22(15-27)19(3)14-23(28-26)20-8-6-5-7-9-20/h5-14H,4,16-17H2,1-3H3
InChIKeyIKOKLCWZHTUEFV-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-4-methylanilino)acetate?
The IUPAC name of ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-4-methylanilino)acetate (CID 2816987) is ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-4-methylanilino)acetate.
What is the SMILES notation for ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-4-methylanilino)acetate?
The canonical SMILES for ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-4-methylanilino)acetate is CCOC(=O)CN(C(=O)COc1nc(-c2ccccc2)cc(C)c1C#N)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-4-methylanilino)acetate?
The InChIKey is IKOKLCWZHTUEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-4-32-25(31)16-29(21-12-10-18(2)11-13-21)24(30)17-33-26-22(15-27)19(3)14-23(28-26)20-8-6-5-7-9-20/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]-4-methylanilino)acetate?
ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-4-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]-4-methylanilino)acetate is sourced from PubChem (CID 2816987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).