2-amino-6-[1-(3-methoxyphenyl)ethylsulfanyl]pyridine-3,5-dicarbonitrile

C16H14N4OS — CID 71974948

IUPAC2-amino-6-[1-(3-methoxyphenyl)ethylsulfanyl]pyridine-3,5-dicarbonitrile
SMILESCOc1cccc(C(C)Sc2nc(N)c(C#N)cc2C#N)c1
InChIInChI=1S/C16H14N4OS/c1-10(11-4-3-5-14(7-11)21-2)22-16-13(9-18)6-12(8-17)15(19)20-16/h3-7,10H,1-2H3,(H2,19,20)
InChIKeyNJFHDBNAPGBKLK-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.27
Rot. Bonds4

About 2-amino-6-[1-(3-methoxyphenyl)ethylsulfanyl]pyridine-3,5-dicarbonitrile

2-amino-6-[1-(3-methoxyphenyl)ethylsulfanyl]pyridine-3,5-dicarbonitrile (PubChem CID 71974948) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-amino-6-[1-(3-methoxyphenyl)ethylsulfanyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[1-(3-methoxyphenyl)ethylsulfanyl]pyridine-3,5-dicarbonitrile
PubChem CID71974948
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name2-amino-6-[1-(3-methoxyphenyl)ethylsulfanyl]pyridine-3,5-dicarbonitrile
SMILESCOc1cccc(C(C)Sc2nc(N)c(C#N)cc2C#N)c1
InChIInChI=1S/C16H14N4OS/c1-10(11-4-3-5-14(7-11)21-2)22-16-13(9-18)6-12(8-17)15(19)20-16/h3-7,10H,1-2H3,(H2,19,20)
InChIKeyNJFHDBNAPGBKLK-UHFFFAOYSA-N
XLogP3.27
TPSA95.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-amino-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 11615787
(3R)-3-(3-methoxyphenyl)butanenitrile
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1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
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ethyl (3S)-3-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl]amino]-3-(4-methoxyphenyl)propanoate
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2-[amino-(3-methoxyphenyl)methyl]-3-methylbutanenitrile
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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[1-(3-methoxyphenyl)ethylsulfanyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[1-(3-methoxyphenyl)ethylsulfanyl]pyridine-3,5-dicarbonitrile (CID 71974948) is 2-amino-6-[1-(3-methoxyphenyl)ethylsulfanyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[1-(3-methoxyphenyl)ethylsulfanyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[1-(3-methoxyphenyl)ethylsulfanyl]pyridine-3,5-dicarbonitrile is COc1cccc(C(C)Sc2nc(N)c(C#N)cc2C#N)c1.
What is the InChIKey of 2-amino-6-[1-(3-methoxyphenyl)ethylsulfanyl]pyridine-3,5-dicarbonitrile?
The InChIKey is NJFHDBNAPGBKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-10(11-4-3-5-14(7-11)21-2)22-16-13(9-18)6-12(8-17)15(19)20-16/h3-7,10H,1-2H3,(H2,19,20).
What are the key properties of 2-amino-6-[1-(3-methoxyphenyl)ethylsulfanyl]pyridine-3,5-dicarbonitrile?
2-amino-6-[1-(3-methoxyphenyl)ethylsulfanyl]pyridine-3,5-dicarbonitrile has a molecular weight of 310.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[1-(3-methoxyphenyl)ethylsulfanyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 71974948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).