2-(2-morpholin-4-ylethylsulfanyl)-6-phenylpyridine-3-carbonitrile

C18H19N3OS — CID 902361

IUPAC2-(2-morpholin-4-ylethylsulfanyl)-6-phenylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccccc2)nc1SCCN1CCOCC1
InChIInChI=1S/C18H19N3OS/c19-14-16-6-7-17(15-4-2-1-3-5-15)20-18(16)23-13-10-21-8-11-22-12-9-21/h1-7H,8-13H2
InChIKeyQECYQCBZALYEDH-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.04
Rot. Bonds5

About 2-(2-morpholin-4-ylethylsulfanyl)-6-phenylpyridine-3-carbonitrile

2-(2-morpholin-4-ylethylsulfanyl)-6-phenylpyridine-3-carbonitrile (PubChem CID 902361) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylsulfanyl)-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylsulfanyl)-6-phenylpyridine-3-carbonitrile
PubChem CID902361
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-(2-morpholin-4-ylethylsulfanyl)-6-phenylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccccc2)nc1SCCN1CCOCC1
InChIInChI=1S/C18H19N3OS/c19-14-16-6-7-17(15-4-2-1-3-5-15)20-18(16)23-13-10-21-8-11-22-12-9-21/h1-7H,8-13H2
InChIKeyQECYQCBZALYEDH-UHFFFAOYSA-N
XLogP3.04
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dimethyl({2-[(6-phenylpyridin-2-yl)sulfanyl]ethyl})amine
CID 9881600
4-Methyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 690946
4,6-Dimethyl-2-(2-morpholin-4-yl-ethylsulfanyl)-nicotinonitrile
CID 919961
2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-5H,6H,7H,8H,9H-cyclohepta[b]pyridine-3-carbonitrile
CID 710311
N-benzyl-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-ethylacetamide
CID 5223232
Ethyl 2-[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridylthio]acetate
CID 1128972
2-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile
CID 1731287
4,6-Dimethyl-2-(2-piperidylethylthio)pyridine-3-carbonitrile
CID 725545
2-{[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
CID 657904
Ethyl 2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylacetate
CID 657961
6-Methyl-2-[(3-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile
CID 912304
2-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 1086292

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethylsulfanyl)-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-morpholin-4-ylethylsulfanyl)-6-phenylpyridine-3-carbonitrile (CID 902361) is 2-(2-morpholin-4-ylethylsulfanyl)-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-morpholin-4-ylethylsulfanyl)-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-morpholin-4-ylethylsulfanyl)-6-phenylpyridine-3-carbonitrile is N#Cc1ccc(-c2ccccc2)nc1SCCN1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylethylsulfanyl)-6-phenylpyridine-3-carbonitrile?
The InChIKey is QECYQCBZALYEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c19-14-16-6-7-17(15-4-2-1-3-5-15)20-18(16)23-13-10-21-8-11-22-12-9-21/h1-7H,8-13H2.
What are the key properties of 2-(2-morpholin-4-ylethylsulfanyl)-6-phenylpyridine-3-carbonitrile?
2-(2-morpholin-4-ylethylsulfanyl)-6-phenylpyridine-3-carbonitrile has a molecular weight of 325.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylsulfanyl)-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 902361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).