2-amino-6-benzylsulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile

C20H13FN4S — CID 28621968

IUPAC2-amino-6-benzylsulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1cccc(F)c1
InChIInChI=1S/C20H13FN4S/c21-15-8-4-7-14(9-15)18-16(10-22)19(24)25-20(17(18)11-23)26-12-13-5-2-1-3-6-13/h1-9H,12H2,(H2,24,25)
InChIKeyBJEQOYLPHKBDTH-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.51
Rot. Bonds4

About 2-amino-6-benzylsulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile

2-amino-6-benzylsulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile (PubChem CID 28621968) has the molecular formula C20H13FN4S and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-amino-6-benzylsulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-benzylsulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile
PubChem CID28621968
Molecular FormulaC20H13FN4S
Molecular Weight360.42 g/mol
Exact Mass360.08
IUPAC Name2-amino-6-benzylsulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1cccc(F)c1
InChIInChI=1S/C20H13FN4S/c21-15-8-4-7-14(9-15)18-16(10-22)19(24)25-20(17(18)11-23)26-12-13-5-2-1-3-6-13/h1-9H,12H2,(H2,24,25)
InChIKeyBJEQOYLPHKBDTH-UHFFFAOYSA-N
XLogP4.51
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-6-benzylsulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 1387121
2-amino-6-benzylsulfanyl-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 176710171
2-benzylsulfanyl-6-chloro-4-phenylpyridine-3,5-dicarbonitrile
CID 87084371
2-amino-6-benzylsulfanyl-4-[4-(2-methoxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 176710001
4-amino-6-benzylsulfanyl-2-methylsulfanylpyrimidine-5-carbonitrile
CID 135005337
2-amino-6-benzylsulfanyl-4-[4-[2-(dimethylamino)ethoxy]phenyl]pyridine-3,5-dicarbonitrile
CID 68706205
2-amino-6-[[3-[(4-methylphenyl)sulfonylmethyl]phenyl]methylsulfanyl]-4-phenylpyridine-3,5-dicarbonitrile
CID 58739487
2-amino-6-benzylsulfanyl-4-ethylpyridine-3,5-dicarbonitrile
CID 745538
bis(2-amino-6-[(4-tert-butylphenyl)methylsulfanyl]-4-phenylpyridine-3,5-dicarbonitrile);N,N-dimethylformamide
CID 163330848
benzyl 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]acetate
CID 1076770
2-amino-6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile
CID 58739970
2-amino-6-benzylsulfanyl-4-[5-(2-nitrophenyl)furan-2-yl]pyridine-3,5-dicarbonitrile
CID 2833656

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-benzylsulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-benzylsulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile (CID 28621968) is 2-amino-6-benzylsulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-benzylsulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-benzylsulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1cccc(F)c1.
What is the InChIKey of 2-amino-6-benzylsulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile?
The InChIKey is BJEQOYLPHKBDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4S/c21-15-8-4-7-14(9-15)18-16(10-22)19(24)25-20(17(18)11-23)26-12-13-5-2-1-3-6-13/h1-9H,12H2,(H2,24,25).
What are the key properties of 2-amino-6-benzylsulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile?
2-amino-6-benzylsulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile has a molecular weight of 360.42 g/mol, XLogP of 4.51, 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-(3-fluorophenyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 28621968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).