2-amino-6-phenylsulfanylpyridine-3,5-dicarbonitrile

C13H8N4S — CID 11615787

IUPAC2-amino-6-phenylsulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(Sc2ccccc2)nc1N
InChIInChI=1S/C13H8N4S/c14-7-9-6-10(8-15)13(17-12(9)16)18-11-4-2-1-3-5-11/h1-6H,(H2,16,17)
InChIKeyABNQPWCYENJWBT-UHFFFAOYSA-N
MW252.30 g/mol
LogP2.56
Rot. Bonds2

About 2-amino-6-phenylsulfanylpyridine-3,5-dicarbonitrile

2-amino-6-phenylsulfanylpyridine-3,5-dicarbonitrile (PubChem CID 11615787) has the molecular formula C13H8N4S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-amino-6-phenylsulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-phenylsulfanylpyridine-3,5-dicarbonitrile
PubChem CID11615787
Molecular FormulaC13H8N4S
Molecular Weight252.30 g/mol
Exact Mass252.05
IUPAC Name2-amino-6-phenylsulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(Sc2ccccc2)nc1N
InChIInChI=1S/C13H8N4S/c14-7-9-6-10(8-15)13(17-12(9)16)18-11-4-2-1-3-5-11/h1-6H,(H2,16,17)
InChIKeyABNQPWCYENJWBT-UHFFFAOYSA-N
XLogP2.56
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-phenylsulfanylpyridine-4-carbonitrile
CID 82813419
2-amino-4-benzoyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 154585292
2-amino-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 23007482
2-amino-4-(furan-2-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 28621951
2-amino-3-phenylsulfanylbenzonitrile
CID 104717495
2-amino-6-hexylsulfanylpyridine-3,5-dicarbonitrile
CID 5037576
2-amino-6-[1-(3-methoxyphenyl)ethylsulfanyl]pyridine-3,5-dicarbonitrile
CID 71974948
2-amino-4-[3-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 11361402
2-amino-6-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile
CID 8562130
2,4-diphenyl-6-phenylsulfanylpyrimidine-5-carbonitrile
CID 3816338
2-amino-4-[4-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 11349923
(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-chlorophenyl)propanamide
CID 8940644

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-phenylsulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-phenylsulfanylpyridine-3,5-dicarbonitrile (CID 11615787) is 2-amino-6-phenylsulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-phenylsulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-phenylsulfanylpyridine-3,5-dicarbonitrile is N#Cc1cc(C#N)c(Sc2ccccc2)nc1N.
What is the InChIKey of 2-amino-6-phenylsulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is ABNQPWCYENJWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4S/c14-7-9-6-10(8-15)13(17-12(9)16)18-11-4-2-1-3-5-11/h1-6H,(H2,16,17).
What are the key properties of 2-amino-6-phenylsulfanylpyridine-3,5-dicarbonitrile?
2-amino-6-phenylsulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 252.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-phenylsulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 11615787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).