3-amino-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-2-carbonitrile

C11H16N4OS — CID 114151096

IUPAC3-amino-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-2-carbonitrile
SMILESCSC(CO)C(C)Nc1ccc(N)c(C#N)n1
InChIInChI=1S/C11H16N4OS/c1-7(10(6-16)17-2)14-11-4-3-8(13)9(5-12)15-11/h3-4,7,10,16H,6,13H2,1-2H3,(H,14,15)
InChIKeyYRFJDYBCQBGTEI-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.06
Rot. Bonds5

About 3-amino-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-2-carbonitrile

3-amino-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-2-carbonitrile (PubChem CID 114151096) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-amino-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-2-carbonitrile
PubChem CID114151096
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name3-amino-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-2-carbonitrile
SMILESCSC(CO)C(C)Nc1ccc(N)c(C#N)n1
InChIInChI=1S/C11H16N4OS/c1-7(10(6-16)17-2)14-11-4-3-8(13)9(5-12)15-11/h3-4,7,10,16H,6,13H2,1-2H3,(H,14,15)
InChIKeyYRFJDYBCQBGTEI-UHFFFAOYSA-N
XLogP1.06
TPSA94.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methylsulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
CID 72003461
6-[3-(2-Hydroxyethyl)-4-methyl-1-piperazinyl]-2-pyridinecarbonitrile
CID 70754285
3-Chloro-6-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-2-carbonitrile
CID 71871139
3-[(6-Fluoro-2-pyridinyl)amino]-4-methylsulfanylbutan-1-ol
CID 72128307
2-[2-(3-Hydroxypropylsulfanyl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 72012608
(3R)-3-[(6-fluoro-2-pyridinyl)amino]-4-methylsulfanylbutan-1-ol
CID 96095688
(3S)-3-[(6-fluoro-2-pyridinyl)amino]-4-methylsulfanylbutan-1-ol
CID 96095690
(3R)-4-methylsulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
CID 97568930
(3S)-4-methylsulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
CID 97568931
2-Methylsulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
CID 103819988
3-[(6-Fluoro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
CID 103820008
3-Amino-6-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carbonitrile
CID 105642275

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-2-carbonitrile (CID 114151096) is 3-amino-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-2-carbonitrile is CSC(CO)C(C)Nc1ccc(N)c(C#N)n1.
What is the InChIKey of 3-amino-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-2-carbonitrile?
The InChIKey is YRFJDYBCQBGTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-7(10(6-16)17-2)14-11-4-3-8(13)9(5-12)15-11/h3-4,7,10,16H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-2-carbonitrile?
3-amino-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-2-carbonitrile has a molecular weight of 252.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 114151096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).