5-amino-6-(3-methylbutylsulfanyl)pyridine-3-carbonitrile

C11H15N3S — CID 107748198

IUPAC5-amino-6-(3-methylbutylsulfanyl)pyridine-3-carbonitrile
SMILESCC(C)CCSc1ncc(C#N)cc1N
InChIInChI=1S/C11H15N3S/c1-8(2)3-4-15-11-10(13)5-9(6-12)7-14-11/h5,7-8H,3-4,13H2,1-2H3
InChIKeyGJJAWTZZCHLCEM-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.67
Rot. Bonds4

About 5-amino-6-(3-methylbutylsulfanyl)pyridine-3-carbonitrile

5-amino-6-(3-methylbutylsulfanyl)pyridine-3-carbonitrile (PubChem CID 107748198) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 5-amino-6-(3-methylbutylsulfanyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(3-methylbutylsulfanyl)pyridine-3-carbonitrile
PubChem CID107748198
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name5-amino-6-(3-methylbutylsulfanyl)pyridine-3-carbonitrile
SMILESCC(C)CCSc1ncc(C#N)cc1N
InChIInChI=1S/C11H15N3S/c1-8(2)3-4-15-11-10(13)5-9(6-12)7-14-11/h5,7-8H,3-4,13H2,1-2H3
InChIKeyGJJAWTZZCHLCEM-UHFFFAOYSA-N
XLogP2.67
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-6-(3-methylbutylsulfanyl)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine
CID 107748140
5-amino-6-(2-chlorophenyl)sulfanylpyridine-3-carbonitrile
CID 103470794
5-amino-6-(2,5-dichlorophenyl)sulfanylpyridine-3-carbonitrile
CID 103470786
5-methyl-2-(3-methylbutylsulfanyl)pyridin-4-amine
CID 107748104
2-[(3-amino-5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetamide
CID 103468035
5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile
CID 103469188
5-amino-6-(3-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 103469450
5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
CID 103468967
5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 103467864
6-methyl-2-(3-methylbutylsulfanyl)pyridin-3-amine
CID 107748105
5-amino-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 103469664
5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile
CID 103469065

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-methylbutylsulfanyl)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(3-methylbutylsulfanyl)pyridine-3-carbonitrile (CID 107748198) is 5-amino-6-(3-methylbutylsulfanyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(3-methylbutylsulfanyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(3-methylbutylsulfanyl)pyridine-3-carbonitrile is CC(C)CCSc1ncc(C#N)cc1N.
What is the InChIKey of 5-amino-6-(3-methylbutylsulfanyl)pyridine-3-carbonitrile?
The InChIKey is GJJAWTZZCHLCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-8(2)3-4-15-11-10(13)5-9(6-12)7-14-11/h5,7-8H,3-4,13H2,1-2H3.
What are the key properties of 5-amino-6-(3-methylbutylsulfanyl)pyridine-3-carbonitrile?
5-amino-6-(3-methylbutylsulfanyl)pyridine-3-carbonitrile has a molecular weight of 221.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-methylbutylsulfanyl)pyridine-3-carbonitrile is sourced from PubChem (CID 107748198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).