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

C26H25N3O5 — CID 2817068

IUPACethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-3-methoxyanilino)acetate
SMILESCCOC(=O)CN(C(=O)COc1nc(-c2ccccc2)cc(C)c1C#N)c1cccc(OC)c1
InChIInChI=1S/C26H25N3O5/c1-4-33-25(31)16-29(20-11-8-12-21(14-20)32-3)24(30)17-34-26-22(15-27)18(2)13-23(28-26)19-9-6-5-7-10-19/h5-14H,4,16-17H2,1-3H3
InChIKeyDNSSUPYWYSMMKH-UHFFFAOYSA-N
MW459.50 g/mol
LogP3.91
Rot. Bonds9

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

ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-3-methoxyanilino)acetate (PubChem CID 2817068) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-3-methoxyanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-3-methoxyanilino)acetate
PubChem CID2817068
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC Nameethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-3-methoxyanilino)acetate
SMILESCCOC(=O)CN(C(=O)COc1nc(-c2ccccc2)cc(C)c1C#N)c1cccc(OC)c1
InChIInChI=1S/C26H25N3O5/c1-4-33-25(31)16-29(20-11-8-12-21(14-20)32-3)24(30)17-34-26-22(15-27)18(2)13-23(28-26)19-9-6-5-7-10-19/h5-14H,4,16-17H2,1-3H3
InChIKeyDNSSUPYWYSMMKH-UHFFFAOYSA-N
XLogP3.91
TPSA101.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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]-3-methoxyanilino)acetate?
The IUPAC name of ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-3-methoxyanilino)acetate (CID 2817068) is ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-3-methoxyanilino)acetate.
What is the SMILES notation for ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-3-methoxyanilino)acetate?
The canonical SMILES for ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-3-methoxyanilino)acetate is CCOC(=O)CN(C(=O)COc1nc(-c2ccccc2)cc(C)c1C#N)c1cccc(OC)c1.
What is the InChIKey of ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-3-methoxyanilino)acetate?
The InChIKey is DNSSUPYWYSMMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5/c1-4-33-25(31)16-29(20-11-8-12-21(14-20)32-3)24(30)17-34-26-22(15-27)18(2)13-23(28-26)19-9-6-5-7-10-19/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]-3-methoxyanilino)acetate?
ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]-3-methoxyanilino)acetate has a molecular weight of 459.50 g/mol, XLogP of 3.91, 9 rotatable bonds, 0 hydrogen bond donors, and 7 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]-3-methoxyanilino)acetate is sourced from PubChem (CID 2817068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).