6-methyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

C18H16F3N3S — CID 1086379

IUPAC6-methyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCN1CCc2nc(SCc3ccccc3C(F)(F)F)c(C#N)cc2C1
InChIInChI=1S/C18H16F3N3S/c1-24-7-6-16-14(10-24)8-13(9-22)17(23-16)25-11-12-4-2-3-5-15(12)18(19,20)21/h2-5,8H,6-7,10-11H2,1H3
InChIKeyQWKMUEVMKZQWFR-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.25
Rot. Bonds3

About 6-methyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

6-methyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (PubChem CID 1086379) has the molecular formula C18H16F3N3S and a molecular weight of 363.41 g/mol. Its IUPAC name is 6-methyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
PubChem CID1086379
Molecular FormulaC18H16F3N3S
Molecular Weight363.41 g/mol
Exact Mass363.10
IUPAC Name6-methyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCN1CCc2nc(SCc3ccccc3C(F)(F)F)c(C#N)cc2C1
InChIInChI=1S/C18H16F3N3S/c1-24-7-6-16-14(10-24)8-13(9-22)17(23-16)25-11-12-4-2-3-5-15(12)18(19,20)21/h2-5,8H,6-7,10-11H2,1H3
InChIKeyQWKMUEVMKZQWFR-UHFFFAOYSA-N
XLogP4.25
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-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

6-methyl-2-[(3-methylphenyl)methylsulfanyl]-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 1201888
2-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile
CID 1731287
3-(p-Cyanophenyl)-2-(2-dimethylaminoethylthio)quinoline hydrochloride
CID 13200256
4,6-Dimethyl-2-(2-piperidylethylthio)pyridine-3-carbonitrile
CID 725545
2-[(Cyanomethyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
CID 646581
2-(Pyridin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydro-quinoline-3-carbonitrile
CID 648350
2-(Benzylsulfanyl)-6,6-dimethyl-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
CID 851112
6-methyl-2-[(3-methylphenyl)methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 912304
4,6-Dimethyl-2-(2-methyl-benzylsulfanyl)-nicotinonitrile
CID 912926
2-[(3-Fluorophenyl)methylsulfanyl]-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
CID 931521
2-[(2-Bromobenzyl)sulfanyl]-6-methyl-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile
CID 1002310
2-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 1086292

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (CID 1086379) is 6-methyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is CN1CCc2nc(SCc3ccccc3C(F)(F)F)c(C#N)cc2C1.
What is the InChIKey of 6-methyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is QWKMUEVMKZQWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3S/c1-24-7-6-16-14(10-24)8-13(9-22)17(23-16)25-11-12-4-2-3-5-15(12)18(19,20)21/h2-5,8H,6-7,10-11H2,1H3.
What are the key properties of 6-methyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
6-methyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 363.41 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 1086379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).