2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide

C22H19FN4OS2 — CID 1086274

IUPAC2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
SMILESCN1CCc2nc(SCC(=O)Nc3cccc(F)c3)c(C#N)c(-c3cccs3)c2C1
InChIInChI=1S/C22H19FN4OS2/c1-27-8-7-18-17(12-27)21(19-6-3-9-29-19)16(11-24)22(26-18)30-13-20(28)25-15-5-2-4-14(23)10-15/h2-6,9-10H,7-8,12-13H2,1H3,(H,25,28)
InChIKeyKQHZOEMDUSISFN-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.54
Rot. Bonds5

About 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide

2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide (PubChem CID 1086274) has the molecular formula C22H19FN4OS2 and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
PubChem CID1086274
Molecular FormulaC22H19FN4OS2
Molecular Weight438.55 g/mol
Exact Mass438.10
IUPAC Name2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
SMILESCN1CCc2nc(SCC(=O)Nc3cccc(F)c3)c(C#N)c(-c3cccs3)c2C1
InChIInChI=1S/C22H19FN4OS2/c1-27-8-7-18-17(12-27)21(19-6-3-9-29-19)16(11-24)22(26-18)30-13-20(28)25-15-5-2-4-14(23)10-15/h2-6,9-10H,7-8,12-13H2,1H3,(H,25,28)
InChIKeyKQHZOEMDUSISFN-UHFFFAOYSA-N
XLogP4.54
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

2-((3-Cyano-6-(2-thienyl)-4-(tri-F-ME)-2-pyridinyl)thio)-N-(3-ME-PH)acetamide
CID 1035668
6-methyl-2-[(3-methylphenyl)methylsulfanyl]-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 1201888
2-{[3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N,N-diethylacetamide
CID 551775
N-(2-Cyanophenyl)-2-((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)acetamide
CID 1256497
2-{[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile
CID 657953
2-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4,6-dithiophen-2-ylpyridine-3-carbonitrile
CID 662192
2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)thio]-N-propan-2-ylacetamide
CID 1002423
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanylacetamide
CID 1005162
2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1238361
2-{[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1270666
2-[(7-cyano-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridin-6-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 5299540
2-Allylsulfanyl-6-methyl-4-thiophen-3-yl-5,6,7,8-tetrahydro-[1,6]naphthyridine-3-carbonitrile
CID 1849949

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide (CID 1086274) is 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide is CN1CCc2nc(SCC(=O)Nc3cccc(F)c3)c(C#N)c(-c3cccs3)c2C1.
What is the InChIKey of 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
The InChIKey is KQHZOEMDUSISFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4OS2/c1-27-8-7-18-17(12-27)21(19-6-3-9-29-19)16(11-24)22(26-18)30-13-20(28)25-15-5-2-4-14(23)10-15/h2-6,9-10H,7-8,12-13H2,1H3,(H,25,28).
What are the key properties of 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide has a molecular weight of 438.55 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 1086274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).