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

C20H12F2N4OS — CID 11349923

IUPAC2-amino-4-[4-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Sc2ccccc2)c(C#N)c1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C20H12F2N4OS/c21-20(22)27-13-8-6-12(7-9-13)17-15(10-23)18(25)26-19(16(17)11-24)28-14-4-2-1-3-5-14/h1-9,20H,(H2,25,26)
InChIKeyDQNTUPMVBYHHSI-UHFFFAOYSA-N
MW394.41 g/mol
LogP4.83
Rot. Bonds5

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

2-amino-4-[4-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile (PubChem CID 11349923) has the molecular formula C20H12F2N4OS and a molecular weight of 394.41 g/mol. Its IUPAC name is 2-amino-4-[4-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile
PubChem CID11349923
Molecular FormulaC20H12F2N4OS
Molecular Weight394.41 g/mol
Exact Mass394.07
IUPAC Name2-amino-4-[4-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Sc2ccccc2)c(C#N)c1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C20H12F2N4OS/c21-20(22)27-13-8-6-12(7-9-13)17-15(10-23)18(25)26-19(16(17)11-24)28-14-4-2-1-3-5-14/h1-9,20H,(H2,25,26)
InChIKeyDQNTUPMVBYHHSI-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[4-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile (CID 11349923) is 2-amino-4-[4-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[4-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[4-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(Sc2ccccc2)c(C#N)c1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-amino-4-[4-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is DQNTUPMVBYHHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N4OS/c21-20(22)27-13-8-6-12(7-9-13)17-15(10-23)18(25)26-19(16(17)11-24)28-14-4-2-1-3-5-14/h1-9,20H,(H2,25,26).
What are the key properties of 2-amino-4-[4-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile?
2-amino-4-[4-(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-[4-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 11349923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).