2-amino-4-ethyl-6-phenacylsulfanylpyridine-3,5-dicarbonitrile

C17H14N4OS — CID 780926

IUPAC2-amino-4-ethyl-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
SMILESCCc1c(C#N)c(N)nc(SCC(=O)c2ccccc2)c1C#N
InChIInChI=1S/C17H14N4OS/c1-2-12-13(8-18)16(20)21-17(14(12)9-19)23-10-15(22)11-6-4-3-5-7-11/h3-7H,2,10H2,1H3,(H2,20,21)
InChIKeyLNWWAWFKMDMSKA-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.94
Rot. Bonds5

About 2-amino-4-ethyl-6-phenacylsulfanylpyridine-3,5-dicarbonitrile

2-amino-4-ethyl-6-phenacylsulfanylpyridine-3,5-dicarbonitrile (PubChem CID 780926) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-amino-4-ethyl-6-phenacylsulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-ethyl-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
PubChem CID780926
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name2-amino-4-ethyl-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
SMILESCCc1c(C#N)c(N)nc(SCC(=O)c2ccccc2)c1C#N
InChIInChI=1S/C17H14N4OS/c1-2-12-13(8-18)16(20)21-17(14(12)9-19)23-10-15(22)11-6-4-3-5-7-11/h3-7H,2,10H2,1H3,(H2,20,21)
InChIKeyLNWWAWFKMDMSKA-UHFFFAOYSA-N
XLogP2.94
TPSA103.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)sulfanyl]acetamide
CID 15269060
2-amino-6-benzylsulfanyl-4-ethylpyridine-3,5-dicarbonitrile
CID 745538
2-amino-4-(4-chlorophenyl)-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
CID 1046975
2-amino-4-ethyl-6-phenacylsulfanylpyridin-1-ium-3,5-dicarbonitrile
CID 6942584
2-amino-4-cyclohex-3-en-1-yl-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
CID 4550693
2-amino-6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
CID 58740095
2-amino-6-[2-(3-bromophenyl)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile
CID 58739776
2-amino-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile
CID 58739635
2-amino-4-(4-methoxyphenyl)-6-(2-oxo-2-pyridin-3-ylethyl)sulfanylpyridine-3,5-dicarbonitrile
CID 58739426
2-[2-[4-[4-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]phenyl]phenyl]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 3111095
2-amino-6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile
CID 58739970
4,6-dimethyl-5-[(4-methylphenyl)diazenyl]-2-phenacylsulfanylpyridine-3-carbonitrile
CID 170908770

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-6-phenacylsulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-ethyl-6-phenacylsulfanylpyridine-3,5-dicarbonitrile (CID 780926) is 2-amino-4-ethyl-6-phenacylsulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-ethyl-6-phenacylsulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-ethyl-6-phenacylsulfanylpyridine-3,5-dicarbonitrile is CCc1c(C#N)c(N)nc(SCC(=O)c2ccccc2)c1C#N.
What is the InChIKey of 2-amino-4-ethyl-6-phenacylsulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is LNWWAWFKMDMSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-2-12-13(8-18)16(20)21-17(14(12)9-19)23-10-15(22)11-6-4-3-5-7-11/h3-7H,2,10H2,1H3,(H2,20,21).
What are the key properties of 2-amino-4-ethyl-6-phenacylsulfanylpyridine-3,5-dicarbonitrile?
2-amino-4-ethyl-6-phenacylsulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 322.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-6-phenacylsulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 780926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).