2-amino-4-[3-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile

C20H12F2N4OS — CID 11361402

IUPAC2-amino-4-[3-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Sc2ccccc2)c(C#N)c1-c1cccc(OC(F)F)c1
InChIInChI=1S/C20H12F2N4OS/c21-20(22)27-13-6-4-5-12(9-13)17-15(10-23)18(25)26-19(16(17)11-24)28-14-7-2-1-3-8-14/h1-9,20H,(H2,25,26)
InChIKeyUFLXNUOUWKZWFO-UHFFFAOYSA-N
MW394.41 g/mol
LogP4.83
Rot. Bonds5

About 2-amino-4-[3-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile

2-amino-4-[3-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile (PubChem CID 11361402) has the molecular formula C20H12F2N4OS and a molecular weight of 394.41 g/mol. Its IUPAC name is 2-amino-4-[3-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[3-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile
PubChem CID11361402
Molecular FormulaC20H12F2N4OS
Molecular Weight394.41 g/mol
Exact Mass394.07
IUPAC Name2-amino-4-[3-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Sc2ccccc2)c(C#N)c1-c1cccc(OC(F)F)c1
InChIInChI=1S/C20H12F2N4OS/c21-20(22)27-13-6-4-5-12(9-13)17-15(10-23)18(25)26-19(16(17)11-24)28-14-7-2-1-3-8-14/h1-9,20H,(H2,25,26)
InChIKeyUFLXNUOUWKZWFO-UHFFFAOYSA-N
XLogP4.83
TPSA95.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-[4-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 11349923
2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169396261
2-amino-4-(furan-2-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 28621951
2-amino-4-(4-methylphenyl)-6-(4-methylphenyl)sulfanylpyridine-3,5-dicarbonitrile
CID 102234389
2-amino-4-(2-chloro-6-methoxyquinolin-3-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 71597146
2-amino-4-benzoyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 154585292
2-amino-6-benzylsulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile
CID 28621968
methyl 4-[2-amino-6-(3-chlorophenyl)sulfanyl-3,5-dicyano-4-pyridinyl]benzoate
CID 11611503
2-amino-6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
CID 58740095
2-amino-4-(3-chloro-4-hydroxyphenyl)-6-(2-fluorophenyl)sulfanylpyridine-3,5-dicarbonitrile
CID 135520150
2-amino-4-(4-chlorophenyl)-6-(2-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile
CID 24796393
methyl 3-[[6-amino-3,5-dicyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]sulfanyl]benzoate
CID 24796796

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[3-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile (CID 11361402) is 2-amino-4-[3-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[3-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[3-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(Sc2ccccc2)c(C#N)c1-c1cccc(OC(F)F)c1.
What is the InChIKey of 2-amino-4-[3-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is UFLXNUOUWKZWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N4OS/c21-20(22)27-13-6-4-5-12(9-13)17-15(10-23)18(25)26-19(16(17)11-24)28-14-7-2-1-3-8-14/h1-9,20H,(H2,25,26).
What are the key properties of 2-amino-4-[3-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile?
2-amino-4-[3-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 394.41 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 11361402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).