2-amino-6-benzylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile

C20H14N4S — CID 671896

IUPAC2-amino-6-benzylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C20H14N4S/c21-11-16-18(15-9-5-2-6-10-15)17(12-22)20(24-19(16)23)25-13-14-7-3-1-4-8-14/h1-10H,13H2,(H2,23,24)
InChIKeyNZIFKJRRLPVDQE-UHFFFAOYSA-N
MW342.43 g/mol
LogP4.37
Rot. Bonds4

About 2-amino-6-benzylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile

2-amino-6-benzylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 671896) has the molecular formula C20H14N4S and a molecular weight of 342.43 g/mol. Its IUPAC name is 2-amino-6-benzylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-benzylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile
PubChem CID671896
Molecular FormulaC20H14N4S
Molecular Weight342.43 g/mol
Exact Mass342.09
IUPAC Name2-amino-6-benzylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C20H14N4S/c21-11-16-18(15-9-5-2-6-10-15)17(12-22)20(24-19(16)23)25-13-14-7-3-1-4-8-14/h1-10H,13H2,(H2,23,24)
InChIKeyNZIFKJRRLPVDQE-UHFFFAOYSA-N
XLogP4.37
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-4-phenyl-6-thiophen-2-yl-nicotinonitrile
CID 10423637
2-Amino-4-(4-chlorophenyl)-6-(methylthio)pyridine-3,5-dicarbonitrile
CID 661167
2-Amino-6-phenyl-4-thiophen-2-yl-nicotinonitrile
CID 3355253
2-Amino-4-(2-chlorophenyl)-6-(ethylthio)pyridine-3,5-dicarbonitrile
CID 659287
2-Amino-6-[(3-methylbenzyl)sulfanyl]-4-(2-thienyl)-3,5-pyridinedicarbonitrile
CID 1201836
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(4-trifluoromethyl-phenyl)-pyridine-3,5-dicarbonitrile
CID 11268516
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-p-tolyl-pyridine-3,5-dicarbonitrile
CID 11301348
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile
CID 11369938
2-Amino-4-(4-fluoro-phenyl)-6-(2-hydroxy-ethylsulfanyl)-pyridine-3,5-dicarbonitrile
CID 11392863
2-[[4-(4-Acetamidophenyl)-6-amino-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide
CID 21893339
N-[3-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]sulfanylmethyl]phenyl]methanesulfonamide
CID 68605180
N-[3-[[6-amino-3,5-dicyano-4-(3,4-difluorophenyl)-2-pyridinyl]sulfanylmethyl]phenyl]methanesulfonamide
CID 68606147

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-benzylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-benzylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile (CID 671896) is 2-amino-6-benzylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-benzylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-benzylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1ccccc1.
What is the InChIKey of 2-amino-6-benzylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is NZIFKJRRLPVDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4S/c21-11-16-18(15-9-5-2-6-10-15)17(12-22)20(24-19(16)23)25-13-14-7-3-1-4-8-14/h1-10H,13H2,(H2,23,24).
What are the key properties of 2-amino-6-benzylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile?
2-amino-6-benzylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 342.43 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-benzylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 671896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).