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

C15H10N4OS — CID 786029

IUPAC2-amino-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(SCC(=O)c2ccccc2)nc1N
InChIInChI=1S/C15H10N4OS/c16-7-11-6-12(8-17)15(19-14(11)18)21-9-13(20)10-4-2-1-3-5-10/h1-6H,9H2,(H2,18,19)
InChIKeyDIVBITBSAUEWLV-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.38
Rot. Bonds4

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

2-amino-6-phenacylsulfanylpyridine-3,5-dicarbonitrile (PubChem CID 786029) has the molecular formula C15H10N4OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-amino-6-phenacylsulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
PubChem CID786029
Molecular FormulaC15H10N4OS
Molecular Weight294.34 g/mol
Exact Mass294.06
IUPAC Name2-amino-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(SCC(=O)c2ccccc2)nc1N
InChIInChI=1S/C15H10N4OS/c16-7-11-6-12(8-17)15(19-14(11)18)21-9-13(20)10-4-2-1-3-5-10/h1-6H,9H2,(H2,18,19)
InChIKeyDIVBITBSAUEWLV-UHFFFAOYSA-N
XLogP2.38
TPSA103.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-2-((3,5-dicyano-6-(dimethylamino)-4-ethylpyridin-2-yl)thio)-2-phenylacetamide
CID 132233666
(Rac)-GSK-3484862
CID 132233424
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile
CID 11369938
2-Amino-6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(3-thienyl)pyridine-3,5-dicarbonitrile
CID 46838967
3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]-N-(2-aminoethyl)benzamide
CID 66633776
3-[(6-Amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide
CID 68615669
2-Amino-6-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-ethyl-3,5-pyridinedicarbonitrile
CID 1049791
2-Amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-phenylpyridine-3,5-dicarbonitrile
CID 1068794
6-Amino-4-phenyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile
CID 2057307
6-(allylthio)-2-amino-5-cyano-N-phenylnicotinamide
CID 2197499
2-Amino-6-[(2-oxo-2-phenylethyl)sulfanyl]-4-(3-thienyl)pyridine-3,5-dicarbonitrile
CID 46838966
US10975056, Example 198
CID 132233912

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-phenacylsulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-phenacylsulfanylpyridine-3,5-dicarbonitrile (CID 786029) is 2-amino-6-phenacylsulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-phenacylsulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-phenacylsulfanylpyridine-3,5-dicarbonitrile is N#Cc1cc(C#N)c(SCC(=O)c2ccccc2)nc1N.
What is the InChIKey of 2-amino-6-phenacylsulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is DIVBITBSAUEWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4OS/c16-7-11-6-12(8-17)15(19-14(11)18)21-9-13(20)10-4-2-1-3-5-10/h1-6H,9H2,(H2,18,19).
What are the key properties of 2-amino-6-phenacylsulfanylpyridine-3,5-dicarbonitrile?
2-amino-6-phenacylsulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 294.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-phenacylsulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 786029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).