6-(3-methylsulfanylbutylamino)pyridine-2-carbonitrile

C11H15N3S — CID 115766580

IUPAC6-(3-methylsulfanylbutylamino)pyridine-2-carbonitrile
SMILESCSC(C)CCNc1cccc(C#N)n1
InChIInChI=1S/C11H15N3S/c1-9(15-2)6-7-13-11-5-3-4-10(8-12)14-11/h3-5,9H,6-7H2,1-2H3,(H,13,14)
InChIKeyZXKCIDNCLKJTBJ-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.51
Rot. Bonds5

About 6-(3-methylsulfanylbutylamino)pyridine-2-carbonitrile

6-(3-methylsulfanylbutylamino)pyridine-2-carbonitrile (PubChem CID 115766580) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 6-(3-methylsulfanylbutylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(3-methylsulfanylbutylamino)pyridine-2-carbonitrile
PubChem CID115766580
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name6-(3-methylsulfanylbutylamino)pyridine-2-carbonitrile
SMILESCSC(C)CCNc1cccc(C#N)n1
InChIInChI=1S/C11H15N3S/c1-9(15-2)6-7-13-11-5-3-4-10(8-12)14-11/h3-5,9H,6-7H2,1-2H3,(H,13,14)
InChIKeyZXKCIDNCLKJTBJ-UHFFFAOYSA-N
XLogP2.51
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Cyclohexylamino)pyridine-2-carbonitrile
CID 16108897
N,6-dimethylpyridin-2-amine
CID 3839092
6-Aminopyridine-2-carbonitrile
CID 564298
1-Cyclopentyl-3-(6-methylpyridin-2-yl)thiourea
CID 1959621
1-Cyclohexyl-3-(6-methylpyridin-2-yl)thiourea
CID 2987777
4,6-Dimethyl-2-(thiomorpholin-4-yl)pyridine-3-carbonitrile
CID 660011
6-(Dimethylamino)-2-pyridinemethanamine
CID 62300498
1-Cyano-2-methyl-3-[2-(pyridin-2-ylmethylsulfanyl)ethyl]guanidine
CID 11776837
methyl N-(6-methyl-2-pyridyl)carbamodithioate
CID 3002252
6-((Methylamino)methyl)pyridin-2-amine
CID 45079746
6-(Methylamino)pyridine-2-carbonitrile
CID 56972673
6-(Piperazin-1-yl)pyridine-2-carbonitrile
CID 64590130

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylsulfanylbutylamino)pyridine-2-carbonitrile?
The IUPAC name of 6-(3-methylsulfanylbutylamino)pyridine-2-carbonitrile (CID 115766580) is 6-(3-methylsulfanylbutylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(3-methylsulfanylbutylamino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(3-methylsulfanylbutylamino)pyridine-2-carbonitrile is CSC(C)CCNc1cccc(C#N)n1.
What is the InChIKey of 6-(3-methylsulfanylbutylamino)pyridine-2-carbonitrile?
The InChIKey is ZXKCIDNCLKJTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-9(15-2)6-7-13-11-5-3-4-10(8-12)14-11/h3-5,9H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 6-(3-methylsulfanylbutylamino)pyridine-2-carbonitrile?
6-(3-methylsulfanylbutylamino)pyridine-2-carbonitrile has a molecular weight of 221.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylsulfanylbutylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 115766580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).