6-methyl-2-phenacylsulfanyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

C24H21N3OS — CID 11988182

IUPAC6-methyl-2-phenacylsulfanyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCN1CCc2nc(SCC(=O)c3ccccc3)c(C#N)c(-c3ccccc3)c2C1
InChIInChI=1S/C24H21N3OS/c1-27-13-12-21-20(15-27)23(18-10-6-3-7-11-18)19(14-25)24(26-21)29-16-22(28)17-8-4-2-5-9-17/h2-11H,12-13,15-16H2,1H3
InChIKeyMKVLLZONLRUQFK-UHFFFAOYSA-N
MW399.52 g/mol
LogP4.58
Rot. Bonds5

About 6-methyl-2-phenacylsulfanyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

6-methyl-2-phenacylsulfanyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (PubChem CID 11988182) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is 6-methyl-2-phenacylsulfanyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-phenacylsulfanyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
PubChem CID11988182
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC Name6-methyl-2-phenacylsulfanyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCN1CCc2nc(SCC(=O)c3ccccc3)c(C#N)c(-c3ccccc3)c2C1
InChIInChI=1S/C24H21N3OS/c1-27-13-12-21-20(15-27)23(18-10-6-3-7-11-18)19(14-25)24(26-21)29-16-22(28)17-8-4-2-5-9-17/h2-11H,12-13,15-16H2,1H3
InChIKeyMKVLLZONLRUQFK-UHFFFAOYSA-N
XLogP4.58
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methyl-2-phenacylsulfanyl-4-phenyl-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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenacylsulfanyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-phenacylsulfanyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (CID 11988182) is 6-methyl-2-phenacylsulfanyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-phenacylsulfanyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-phenacylsulfanyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is CN1CCc2nc(SCC(=O)c3ccccc3)c(C#N)c(-c3ccccc3)c2C1.
What is the InChIKey of 6-methyl-2-phenacylsulfanyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is MKVLLZONLRUQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS/c1-27-13-12-21-20(15-27)23(18-10-6-3-7-11-18)19(14-25)24(26-21)29-16-22(28)17-8-4-2-5-9-17/h2-11H,12-13,15-16H2,1H3.
What are the key properties of 6-methyl-2-phenacylsulfanyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
6-methyl-2-phenacylsulfanyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 399.52 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenacylsulfanyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 11988182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).