2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile

C24H24N3OS+ — CID 7008150

IUPAC2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC[NH+]1CCOCC1
InChIInChI=1S/C24H23N3OS/c25-18-22-21(19-7-3-1-4-8-19)17-23(20-9-5-2-6-10-20)26-24(22)29-16-13-27-11-14-28-15-12-27/h1-10,17H,11-16H2/p+1
InChIKeyYFQHDNPYDVBEAI-UHFFFAOYSA-O
MW402.54 g/mol
LogP3.29
Rot. Bonds6

About 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile

2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile (PubChem CID 7008150) has the molecular formula C24H24N3OS+ and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile
PubChem CID7008150
Molecular FormulaC24H24N3OS+
Molecular Weight402.54 g/mol
Exact Mass402.16
IUPAC Name2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC[NH+]1CCOCC1
InChIInChI=1S/C24H23N3OS/c25-18-22-21(19-7-3-1-4-8-19)17-23(20-9-5-2-6-10-20)26-24(22)29-16-13-27-11-14-28-15-12-27/h1-10,17H,11-16H2/p+1
InChIKeyYFQHDNPYDVBEAI-UHFFFAOYSA-O
XLogP3.29
TPSA50.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)-4-phenylpyridine-3-carbonitrile
CID 3133383
2-(2-ethylsulfonylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile
CID 3380391
2-(cyanomethylsulfanyl)-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile
CID 3125152
2-benzylsulfanyl-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile
CID 3125938
3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]propanoic acid
CID 53270290
2-(2-benzylsulfinylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile
CID 3317762
6-(4-bromophenyl)-2-(methylsulfanylmethylsulfanyl)-4-phenylpyridine-3-carbonitrile
CID 3326274
2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]sulfanyl-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile
CID 1040571
6-(4-bromophenyl)-2-(3-butylsulfanyl-2-hydroxypropyl)sulfanyl-4-phenylpyridine-3-carbonitrile
CID 3348807
N-(2-bromophenyl)-3-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]propanamide
CID 23804214
2-[[4-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]sulfanylmethyl]phenyl]methylsulfanyl]-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
CID 3165607
2-(benzylsulfinylmethylsulfanyl)-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile
CID 3322471

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile (CID 7008150) is 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC[NH+]1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile?
The InChIKey is YFQHDNPYDVBEAI-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H23N3OS/c25-18-22-21(19-7-3-1-4-8-19)17-23(20-9-5-2-6-10-20)26-24(22)29-16-13-27-11-14-28-15-12-27/h1-10,17H,11-16H2/p+1.
What are the key properties of 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile?
2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile has a molecular weight of 402.54 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile is sourced from PubChem (CID 7008150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).