2-amino-6-methylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile

C14H10N4S — CID 755007

IUPAC2-amino-6-methylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile
SMILESCSc1nc(N)c(C#N)c(-c2ccccc2)c1C#N
InChIInChI=1S/C14H10N4S/c1-19-14-11(8-16)12(9-5-3-2-4-6-9)10(7-15)13(17)18-14/h2-6H,1H3,(H2,17,18)
InChIKeySXAFBVAFDVTZLS-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.80
Rot. Bonds2

About 2-amino-6-methylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile

2-amino-6-methylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 755007) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-amino-6-methylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-methylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile
PubChem CID755007
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC Name2-amino-6-methylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile
SMILESCSc1nc(N)c(C#N)c(-c2ccccc2)c1C#N
InChIInChI=1S/C14H10N4S/c1-19-14-11(8-16)12(9-5-3-2-4-6-9)10(7-15)13(17)18-14/h2-6H,1H3,(H2,17,18)
InChIKeySXAFBVAFDVTZLS-UHFFFAOYSA-N
XLogP2.80
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-methylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile (CID 755007) is 2-amino-6-methylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-methylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-methylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile is CSc1nc(N)c(C#N)c(-c2ccccc2)c1C#N.
What is the InChIKey of 2-amino-6-methylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is SXAFBVAFDVTZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S/c1-19-14-11(8-16)12(9-5-3-2-4-6-9)10(7-15)13(17)18-14/h2-6H,1H3,(H2,17,18).
What are the key properties of 2-amino-6-methylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile?
2-amino-6-methylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 266.33 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methylsulfanyl-4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 755007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).