4-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile

C24H19Cl2N3O2S — CID 1147287

IUPAC4-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2Cl)cc(-c2ccc(Cl)cc2)nc1SCC(=O)N1CCOCC1
InChIInChI=1S/C24H19Cl2N3O2S/c25-17-7-5-16(6-8-17)22-13-19(18-3-1-2-4-21(18)26)20(14-27)24(28-22)32-15-23(30)29-9-11-31-12-10-29/h1-8,13H,9-12,15H2
InChIKeyPXCUPLBXXZQMKO-UHFFFAOYSA-N
MW484.41 g/mol
LogP5.54
Rot. Bonds5

About 4-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile

4-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile (PubChem CID 1147287) has the molecular formula C24H19Cl2N3O2S and a molecular weight of 484.41 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile
PubChem CID1147287
Molecular FormulaC24H19Cl2N3O2S
Molecular Weight484.41 g/mol
Exact Mass483.06
IUPAC Name4-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2Cl)cc(-c2ccc(Cl)cc2)nc1SCC(=O)N1CCOCC1
InChIInChI=1S/C24H19Cl2N3O2S/c25-17-7-5-16(6-8-17)22-13-19(18-3-1-2-4-21(18)26)20(14-27)24(28-22)32-15-23(30)29-9-11-31-12-10-29/h1-8,13H,9-12,15H2
InChIKeyPXCUPLBXXZQMKO-UHFFFAOYSA-N
XLogP5.54
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.41
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile with MolForge

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Related Compounds

6-(3,4-Dichlorophenyl)-2-{[2-(4-morpholinyl)ethyl]thio}-4-(trifluoromethyl)nicotinonitrile
CID 1301867
2-(2-Morpholin-4-yl-2-oxo-ethylsulfanyl)-6-phenyl-4-trifluoromethyl-nicotinonitrile
CID 1128971
2-{[2-(4-Morpholinyl)ethyl]sulfanyl}-6-phenylnicotinonitrile
CID 902361
2-{[2-(Morpholin-4-yl)-2-oxoethyl]sulfanyl}-4,6-diphenylpyridine-3-carbonitrile
CID 1038660
6-(4-Chlorophenyl)-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]thio}-4-(trifluoromethyl)nicotinonitrile
CID 2224590
Ethyl 2-{[6-(2-chlorophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanyl}propanoate
CID 5225788
2-(2-Oxo-2-piperidin-1-yl-ethylsulfanyl)-4,6-diphenyl-nicotinonitrile
CID 1038666
ethyl 2-(3-chloro-N-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]anilino)acetate
CID 2817039
2-{[3-(4-Morpholinyl)-3-oxopropyl]thio}-6-phenyl-4-(trifluoromethyl)nicotinonitrile
CID 2225007
2-{[2-(1-Azepanyl)-2-oxoethyl]thio}-6-(4-chlorophenyl)-4-(trifluoromethyl)nicotinonitrile
CID 2966605
6-(4-Chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2712110
6-(4-Chlorophenyl)-2-{[2-oxo-2-(1-piperidinyl)ethyl]thio}-4-(trifluoromethyl)nicotinonitrile
CID 2969661

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile?
The IUPAC name of 4-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile (CID 1147287) is 4-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile?
The canonical SMILES for 4-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile is N#Cc1c(-c2ccccc2Cl)cc(-c2ccc(Cl)cc2)nc1SCC(=O)N1CCOCC1.
What is the InChIKey of 4-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile?
The InChIKey is PXCUPLBXXZQMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O2S/c25-17-7-5-16(6-8-17)22-13-19(18-3-1-2-4-21(18)26)20(14-27)24(28-22)32-15-23(30)29-9-11-31-12-10-29/h1-8,13H,9-12,15H2.
What are the key properties of 4-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile?
4-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile has a molecular weight of 484.41 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 1147287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).