4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]pyridine-2-carbonitrile

C13H17N3S — CID 114116374

IUPAC4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]pyridine-2-carbonitrile
SMILESCSC1(CNCc2ccnc(C#N)c2)CCC1
InChIInChI=1S/C13H17N3S/c1-17-13(4-2-5-13)10-15-9-11-3-6-16-12(7-11)8-14/h3,6-7,15H,2,4-5,9-10H2,1H3
InChIKeySPNNKRCGNAVZIH-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.33
Rot. Bonds5

About 4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]pyridine-2-carbonitrile

4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]pyridine-2-carbonitrile (PubChem CID 114116374) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]pyridine-2-carbonitrile
PubChem CID114116374
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]pyridine-2-carbonitrile
SMILESCSC1(CNCc2ccnc(C#N)c2)CCC1
InChIInChI=1S/C13H17N3S/c1-17-13(4-2-5-13)10-15-9-11-3-6-16-12(7-11)8-14/h3,6-7,15H,2,4-5,9-10H2,1H3
InChIKeySPNNKRCGNAVZIH-UHFFFAOYSA-N
XLogP2.33
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile
CID 107163570
N'-hydroxy-4-[[(1-methylsulfanylcyclohexyl)methylamino]methyl]pyridine-2-carboximidamide
CID 136762569
N-[(1-methylsulfanylcyclopropyl)methyl]-1-pyridin-4-ylmethanamine
CID 107267578
1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107266984
5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 107268789
1-(4-ethoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107266974
4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63882717
1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
CID 114115868
4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63883271
4-[(4-methylsulfanylanilino)methyl]pyridine-2-carbonitrile
CID 63888074
4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile
CID 103829289
4-[(furan-2-ylmethylamino)methyl]pyridine-2-carbonitrile
CID 63881885

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]pyridine-2-carbonitrile (CID 114116374) is 4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]pyridine-2-carbonitrile is CSC1(CNCc2ccnc(C#N)c2)CCC1.
What is the InChIKey of 4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is SPNNKRCGNAVZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-17-13(4-2-5-13)10-15-9-11-3-6-16-12(7-11)8-14/h3,6-7,15H,2,4-5,9-10H2,1H3.
What are the key properties of 4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]pyridine-2-carbonitrile?
4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 247.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 114116374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).