2-amino-4-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile

C20H12F2N4S — CID 1387121

IUPAC2-amino-4-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2ccc(F)cc2)c(C#N)c1-c1ccc(F)cc1
InChIInChI=1S/C20H12F2N4S/c21-14-5-1-12(2-6-14)11-27-20-17(10-24)18(16(9-23)19(25)26-20)13-3-7-15(22)8-4-13/h1-8H,11H2,(H2,25,26)
InChIKeyAIGFLWNKDYBIFT-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.64
Rot. Bonds4

About 2-amino-4-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile

2-amino-4-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile (PubChem CID 1387121) has the molecular formula C20H12F2N4S and a molecular weight of 378.41 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile
PubChem CID1387121
Molecular FormulaC20H12F2N4S
Molecular Weight378.41 g/mol
Exact Mass378.08
IUPAC Name2-amino-4-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2ccc(F)cc2)c(C#N)c1-c1ccc(F)cc1
InChIInChI=1S/C20H12F2N4S/c21-14-5-1-12(2-6-14)11-27-20-17(10-24)18(16(9-23)19(25)26-20)13-3-7-15(22)8-4-13/h1-8H,11H2,(H2,25,26)
InChIKeyAIGFLWNKDYBIFT-UHFFFAOYSA-N
XLogP4.64
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-benzylsulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile
CID 28621968
2-amino-6-benzylsulfanyl-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 176710171
2-amino-6-benzylsulfanyl-4-[4-(2-methoxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 176710001
2-amino-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 23007482
bis(2-amino-6-[(4-tert-butylphenyl)methylsulfanyl]-4-phenylpyridine-3,5-dicarbonitrile);N,N-dimethylformamide
CID 163330848
2-amino-6-benzylsulfanyl-4-[4-[2-(dimethylamino)ethoxy]phenyl]pyridine-3,5-dicarbonitrile
CID 68706205
3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 53270244
2-amino-4-(4-bromophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 28622154
2-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 58739814
2-[(4-fluorophenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 724579
2-benzylsulfanyl-6-chloro-4-phenylpyridine-3,5-dicarbonitrile
CID 87084371
2-amino-6-methylsulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile
CID 760984

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile (CID 1387121) is 2-amino-4-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCc2ccc(F)cc2)c(C#N)c1-c1ccc(F)cc1.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile?
The InChIKey is AIGFLWNKDYBIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N4S/c21-14-5-1-12(2-6-14)11-27-20-17(10-24)18(16(9-23)19(25)26-20)13-3-7-15(22)8-4-13/h1-8H,11H2,(H2,25,26).
What are the key properties of 2-amino-4-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile?
2-amino-4-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile has a molecular weight of 378.41 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 1387121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).