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

C25H23N3O4 — CID 2817067

IUPACethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)COc1nc(-c2ccccc2)cc(C)c1C#N)c1ccccc1
InChIInChI=1S/C25H23N3O4/c1-3-31-24(30)16-28(20-12-8-5-9-13-20)23(29)17-32-25-21(15-26)18(2)14-22(27-25)19-10-6-4-7-11-19/h4-14H,3,16-17H2,1-2H3
InChIKeyFBEOPAUZHSJHQX-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.90
Rot. Bonds8

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

ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]anilino)acetate (PubChem CID 2817067) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]anilino)acetate
PubChem CID2817067
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Nameethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)COc1nc(-c2ccccc2)cc(C)c1C#N)c1ccccc1
InChIInChI=1S/C25H23N3O4/c1-3-31-24(30)16-28(20-12-8-5-9-13-20)23(29)17-32-25-21(15-26)18(2)14-22(27-25)19-10-6-4-7-11-19/h4-14H,3,16-17H2,1-2H3
InChIKeyFBEOPAUZHSJHQX-UHFFFAOYSA-N
XLogP3.90
TPSA92.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.90
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]anilino)acetate?
The IUPAC name of ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]anilino)acetate (CID 2817067) is ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]anilino)acetate.
What is the SMILES notation for ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]anilino)acetate?
The canonical SMILES for ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]anilino)acetate is CCOC(=O)CN(C(=O)COc1nc(-c2ccccc2)cc(C)c1C#N)c1ccccc1.
What is the InChIKey of ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]anilino)acetate?
The InChIKey is FBEOPAUZHSJHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-3-31-24(30)16-28(20-12-8-5-9-13-20)23(29)17-32-25-21(15-26)18(2)14-22(27-25)19-10-6-4-7-11-19/h4-14H,3,16-17H2,1-2H3.
What are the key properties of ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]anilino)acetate?
ethyl 2-(N-[2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)oxy]acetyl]anilino)acetate has a molecular weight of 429.48 g/mol, XLogP of 3.90, 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]anilino)acetate is sourced from PubChem (CID 2817067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).