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

C18H17ClN4OS — CID 660941

IUPACN-(4-chlorophenyl)-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetamide
SMILESCN1CCc2nc(SCC(=O)Nc3ccc(Cl)cc3)c(C#N)cc2C1
InChIInChI=1S/C18H17ClN4OS/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)
InChIKeyPCELSYLQMHUTFC-UHFFFAOYSA-N
MW372.88 g/mol
LogP3.33
Rot. Bonds4

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

N-(4-chlorophenyl)-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetamide (PubChem CID 660941) has the molecular formula C18H17ClN4OS and a molecular weight of 372.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetamide
PubChem CID660941
Molecular FormulaC18H17ClN4OS
Molecular Weight372.88 g/mol
Exact Mass372.08
IUPAC NameN-(4-chlorophenyl)-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetamide
SMILESCN1CCc2nc(SCC(=O)Nc3ccc(Cl)cc3)c(C#N)cc2C1
InChIInChI=1S/C18H17ClN4OS/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)
InChIKeyPCELSYLQMHUTFC-UHFFFAOYSA-N
XLogP3.33
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[(7-cyano-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridin-6-yl)sulfanyl]acetamide
CID 666682
2-({4-cyano-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-trien-5-yl}sulfanyl)-N-(3,5-dichlorophenyl)acetamide
CID 1006302
2-[(7-cyano-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridin-6-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 1006305
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(7-cyano-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridin-6-yl)sulfanyl]acetamide
CID 5299986
N-(5-chloro-2-methylphenyl)-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide
CID 5299641
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-propylacetamide
CID 16007539
2-[(5-chloro-3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
CID 714282
N-(4-Chlorophenyl)-2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamide
CID 1744296
N-(2-chlorophenyl)-2-(6,8-dimethyl-2-oxo-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 20890111
2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 660357
N-(3-chloro-4-fluorophenyl)-2-[(7-cyano-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridin-6-yl)sulfanyl]acetamide
CID 5299545
N-butyl-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide
CID 16007473

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetamide (CID 660941) is N-(4-chlorophenyl)-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetamide is CN1CCc2nc(SCC(=O)Nc3ccc(Cl)cc3)c(C#N)cc2C1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetamide?
The InChIKey is PCELSYLQMHUTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4OS/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 N-(4-chlorophenyl)-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetamide?
N-(4-chlorophenyl)-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetamide has a molecular weight of 372.88 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 660941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).