2-ethoxy-6-(4-fluorophenyl)-4-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile

C24H22FN3O2 — CID 102246453

IUPAC2-ethoxy-6-(4-fluorophenyl)-4-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile
SMILESCCOc1nc(-c2ccc(F)cc2)cc(-c2ccc(N3CCOCC3)cc2)c1C#N
InChIInChI=1S/C24H22FN3O2/c1-2-30-24-22(16-26)21(15-23(27-24)18-3-7-19(25)8-4-18)17-5-9-20(10-6-17)28-11-13-29-14-12-28/h3-10,15H,2,11-14H2,1H3
InChIKeyZOLMUMNUIHTJGZ-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.66
Rot. Bonds5

About 2-ethoxy-6-(4-fluorophenyl)-4-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile

2-ethoxy-6-(4-fluorophenyl)-4-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile (PubChem CID 102246453) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-ethoxy-6-(4-fluorophenyl)-4-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-ethoxy-6-(4-fluorophenyl)-4-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile
PubChem CID102246453
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name2-ethoxy-6-(4-fluorophenyl)-4-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile
SMILESCCOc1nc(-c2ccc(F)cc2)cc(-c2ccc(N3CCOCC3)cc2)c1C#N
InChIInChI=1S/C24H22FN3O2/c1-2-30-24-22(16-26)21(15-23(27-24)18-3-7-19(25)8-4-18)17-5-9-20(10-6-17)28-11-13-29-14-12-28/h3-10,15H,2,11-14H2,1H3
InChIKeyZOLMUMNUIHTJGZ-UHFFFAOYSA-N
XLogP4.66
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 10969383
ethyl 4-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]-1,3-oxazole-5-carboxylate
CID 57490691
6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile
CID 3112245
2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile
CID 56866569
4-(5-methyl-1,3-oxazol-4-yl)-6-(4-morpholin-4-ylphenyl)-2-(thiophen-3-ylmethoxy)pyridine-3-carbonitrile
CID 69098095
4-carbamoyl-5-[[3-cyano-4-(5-ethoxy-1,3-oxazol-2-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid
CID 140546118
methyl 4-cyano-5-[[3-cyano-4-(5-ethoxy-1,3-oxazol-2-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylate
CID 57490800
sodium 4-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]benzoate
CID 169428580
4-amino-3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid
CID 140546133
5-[[3-cyano-4-(5-ethoxy-1,3-oxazol-2-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]-4-methylsulfonylthiophene-2-carboxylic acid
CID 140546111
dimethyl 5-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2,4-dicarboxylate
CID 57490806
methyl 3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]-5-iodothiophene-2-carboxylate
CID 57490717

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(4-fluorophenyl)-4-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-ethoxy-6-(4-fluorophenyl)-4-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile (CID 102246453) is 2-ethoxy-6-(4-fluorophenyl)-4-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-ethoxy-6-(4-fluorophenyl)-4-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-ethoxy-6-(4-fluorophenyl)-4-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile is CCOc1nc(-c2ccc(F)cc2)cc(-c2ccc(N3CCOCC3)cc2)c1C#N.
What is the InChIKey of 2-ethoxy-6-(4-fluorophenyl)-4-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile?
The InChIKey is ZOLMUMNUIHTJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-2-30-24-22(16-26)21(15-23(27-24)18-3-7-19(25)8-4-18)17-5-9-20(10-6-17)28-11-13-29-14-12-28/h3-10,15H,2,11-14H2,1H3.
What are the key properties of 2-ethoxy-6-(4-fluorophenyl)-4-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile?
2-ethoxy-6-(4-fluorophenyl)-4-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile has a molecular weight of 403.46 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-(4-fluorophenyl)-4-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 102246453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).