6-[(3-methylsulfanylcyclopentyl)amino]pyridine-3-carbonitrile

C12H15N3S — CID 103704177

IUPAC6-[(3-methylsulfanylcyclopentyl)amino]pyridine-3-carbonitrile
SMILESCSC1CCC(Nc2ccc(C#N)cn2)C1
InChIInChI=1S/C12H15N3S/c1-16-11-4-3-10(6-11)15-12-5-2-9(7-13)8-14-12/h2,5,8,10-11H,3-4,6H2,1H3,(H,14,15)
InChIKeyOTJNDDNPRCCBSS-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.65
Rot. Bonds3

About 6-[(3-methylsulfanylcyclopentyl)amino]pyridine-3-carbonitrile

6-[(3-methylsulfanylcyclopentyl)amino]pyridine-3-carbonitrile (PubChem CID 103704177) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 6-[(3-methylsulfanylcyclopentyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3-methylsulfanylcyclopentyl)amino]pyridine-3-carbonitrile
PubChem CID103704177
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name6-[(3-methylsulfanylcyclopentyl)amino]pyridine-3-carbonitrile
SMILESCSC1CCC(Nc2ccc(C#N)cn2)C1
InChIInChI=1S/C12H15N3S/c1-16-11-4-3-10(6-11)15-12-5-2-9(7-13)8-14-12/h2,5,8,10-11H,3-4,6H2,1H3,(H,14,15)
InChIKeyOTJNDDNPRCCBSS-UHFFFAOYSA-N
XLogP2.65
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(3-methylsulfanylcyclopentyl)amino]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-methyl-N-(3-methylsulfanylcyclopentyl)pyridin-2-amine
CID 103704113
6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile
CID 93287060
6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile
CID 24704980
6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile
CID 61371820
6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]pyridine-3-carbonitrile
CID 170765192
6-[(2-aminocyclopropyl)amino]pyridine-3-carbonitrile
CID 43598833
tert-butyl (3R)-3-[(5-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 66884944
6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile
CID 126934338
5-[(3-methylsulfanylcyclohexyl)amino]pyridine-2-carbonitrile
CID 91659454
6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
CID 103704181
6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile
CID 96525974
5-bromo-N-(3-ethylsulfanylcyclopentyl)pyridin-2-amine
CID 103704828

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylsulfanylcyclopentyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(3-methylsulfanylcyclopentyl)amino]pyridine-3-carbonitrile (CID 103704177) is 6-[(3-methylsulfanylcyclopentyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(3-methylsulfanylcyclopentyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(3-methylsulfanylcyclopentyl)amino]pyridine-3-carbonitrile is CSC1CCC(Nc2ccc(C#N)cn2)C1.
What is the InChIKey of 6-[(3-methylsulfanylcyclopentyl)amino]pyridine-3-carbonitrile?
The InChIKey is OTJNDDNPRCCBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-16-11-4-3-10(6-11)15-12-5-2-9(7-13)8-14-12/h2,5,8,10-11H,3-4,6H2,1H3,(H,14,15).
What are the key properties of 6-[(3-methylsulfanylcyclopentyl)amino]pyridine-3-carbonitrile?
6-[(3-methylsulfanylcyclopentyl)amino]pyridine-3-carbonitrile has a molecular weight of 233.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylsulfanylcyclopentyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 103704177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).