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

C18H17FN4OS — CID 656288

IUPAC2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESCN1CCc2nc(SCC(=O)Nc3ccc(F)cc3)c(C#N)cc2C1
InChIInChI=1S/C18H17FN4OS/c1-23-7-6-16-13(10-23)8-12(9-20)18(22-16)25-11-17(24)21-15-4-2-14(19)3-5-15/h2-5,8H,6-7,10-11H2,1H3,(H,21,24)
InChIKeyKGAPOBLIDURTOR-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.81
Rot. Bonds4

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

2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide (PubChem CID 656288) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
PubChem CID656288
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC Name2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESCN1CCc2nc(SCC(=O)Nc3ccc(F)cc3)c(C#N)cc2C1
InChIInChI=1S/C18H17FN4OS/c1-23-7-6-16-13(10-23)8-12(9-20)18(22-16)25-11-17(24)21-15-4-2-14(19)3-5-15/h2-5,8H,6-7,10-11H2,1H3,(H,21,24)
InChIKeyKGAPOBLIDURTOR-UHFFFAOYSA-N
XLogP2.81
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide (CID 656288) is 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is CN1CCc2nc(SCC(=O)Nc3ccc(F)cc3)c(C#N)cc2C1.
What is the InChIKey of 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The InChIKey is KGAPOBLIDURTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS/c1-23-7-6-16-13(10-23)8-12(9-20)18(22-16)25-11-17(24)21-15-4-2-14(19)3-5-15/h2-5,8H,6-7,10-11H2,1H3,(H,21,24).
What are the key properties of 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide has a molecular weight of 356.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 656288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).