ethyl 2-[(3-cyano-6-phenyl-4-propan-2-yl-2-pyridinyl)oxy]-2-phenylacetate

C25H24N2O3 — CID 71157377

IUPACethyl 2-[(3-cyano-6-phenyl-4-propan-2-yl-2-pyridinyl)oxy]-2-phenylacetate
SMILESCCOC(=O)C(Oc1nc(-c2ccccc2)cc(C(C)C)c1C#N)c1ccccc1
InChIInChI=1S/C25H24N2O3/c1-4-29-25(28)23(19-13-9-6-10-14-19)30-24-21(16-26)20(17(2)3)15-22(27-24)18-11-7-5-8-12-18/h5-15,17,23H,4H2,1-3H3
InChIKeyHPFHIPLMBVRMIN-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.43
Rot. Bonds7

About ethyl 2-[(3-cyano-6-phenyl-4-propan-2-yl-2-pyridinyl)oxy]-2-phenylacetate

ethyl 2-[(3-cyano-6-phenyl-4-propan-2-yl-2-pyridinyl)oxy]-2-phenylacetate (PubChem CID 71157377) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is ethyl 2-[(3-cyano-6-phenyl-4-propan-2-yl-2-pyridinyl)oxy]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[(3-cyano-6-phenyl-4-propan-2-yl-2-pyridinyl)oxy]-2-phenylacetate
PubChem CID71157377
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Nameethyl 2-[(3-cyano-6-phenyl-4-propan-2-yl-2-pyridinyl)oxy]-2-phenylacetate
SMILESCCOC(=O)C(Oc1nc(-c2ccccc2)cc(C(C)C)c1C#N)c1ccccc1
InChIInChI=1S/C25H24N2O3/c1-4-29-25(28)23(19-13-9-6-10-14-19)30-24-21(16-26)20(17(2)3)15-22(27-24)18-11-7-5-8-12-18/h5-15,17,23H,4H2,1-3H3
InChIKeyHPFHIPLMBVRMIN-UHFFFAOYSA-N
XLogP5.43
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(3-cyano-6-phenyl-4-propan-2-yl-2-pyridinyl)oxy]-2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetate
CID 143568553
prop-2-enyl 2-[(3-cyano-4-propan-2-yl-6-thiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetate
CID 89320059
ethyl 2-[[6-(2-bromophenyl)-3-cyano-4-(4-fluorophenyl)-2-pyridinyl]oxy]-2-phenylacetate
CID 143568604
ethyl 2-(3-cyanophenoxy)-2-phenylacetate
CID 103601165
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile
CID 3112245
ethyl 2-[[3-cyano-4-(furan-2-yl)-6-phenyl-2-pyridinyl]sulfanyl]-3-oxobutanoate
CID 15359410
2-ethyl-4,6-diphenylpyridine-3-carbonitrile
CID 102404081
ethyl 2-(4-methylphenoxy)-2-phenylacetate
CID 103601098
ethyl 2-[[3-amino-6-(2-bromophenyl)-4-(4-nitrosophenyl)-2-pyridinyl]oxy]-2-phenylacetate
CID 89319914
ethyl 2-(3-methoxyphenoxy)-2-phenylacetate
CID 117065644
prop-2-enyl 2-[[4-[5-(4-bromophenyl)furan-2-yl]-3-cyano-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetate
CID 143568593

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-cyano-6-phenyl-4-propan-2-yl-2-pyridinyl)oxy]-2-phenylacetate?
The IUPAC name of ethyl 2-[(3-cyano-6-phenyl-4-propan-2-yl-2-pyridinyl)oxy]-2-phenylacetate (CID 71157377) is ethyl 2-[(3-cyano-6-phenyl-4-propan-2-yl-2-pyridinyl)oxy]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[(3-cyano-6-phenyl-4-propan-2-yl-2-pyridinyl)oxy]-2-phenylacetate?
The canonical SMILES for ethyl 2-[(3-cyano-6-phenyl-4-propan-2-yl-2-pyridinyl)oxy]-2-phenylacetate is CCOC(=O)C(Oc1nc(-c2ccccc2)cc(C(C)C)c1C#N)c1ccccc1.
What is the InChIKey of ethyl 2-[(3-cyano-6-phenyl-4-propan-2-yl-2-pyridinyl)oxy]-2-phenylacetate?
The InChIKey is HPFHIPLMBVRMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-4-29-25(28)23(19-13-9-6-10-14-19)30-24-21(16-26)20(17(2)3)15-22(27-24)18-11-7-5-8-12-18/h5-15,17,23H,4H2,1-3H3.
What are the key properties of ethyl 2-[(3-cyano-6-phenyl-4-propan-2-yl-2-pyridinyl)oxy]-2-phenylacetate?
ethyl 2-[(3-cyano-6-phenyl-4-propan-2-yl-2-pyridinyl)oxy]-2-phenylacetate has a molecular weight of 400.48 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-cyano-6-phenyl-4-propan-2-yl-2-pyridinyl)oxy]-2-phenylacetate is sourced from PubChem (CID 71157377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).