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

C24H20ClFN4OS — CID 23476098

IUPAC2-[[4-(4-chlorophenyl)-3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESCN1CCc2nc(SCC(=O)Nc3ccccc3F)c(C#N)c(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C24H20ClFN4OS/c1-30-11-10-20-18(13-30)23(15-6-8-16(25)9-7-15)17(12-27)24(29-20)32-14-22(31)28-21-5-3-2-4-19(21)26/h2-9H,10-11,13-14H2,1H3,(H,28,31)
InChIKeyIXXKWXYNOLPIDA-UHFFFAOYSA-N
MW466.97 g/mol
LogP5.13
Rot. Bonds5

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

2-[[4-(4-chlorophenyl)-3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide (PubChem CID 23476098) has the molecular formula C24H20ClFN4OS and a molecular weight of 466.97 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)-3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)-3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
PubChem CID23476098
Molecular FormulaC24H20ClFN4OS
Molecular Weight466.97 g/mol
Exact Mass466.10
IUPAC Name2-[[4-(4-chlorophenyl)-3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESCN1CCc2nc(SCC(=O)Nc3ccccc3F)c(C#N)c(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C24H20ClFN4OS/c1-30-11-10-20-18(13-30)23(15-6-8-16(25)9-7-15)17(12-27)24(29-20)32-14-22(31)28-21-5-3-2-4-19(21)26/h2-9H,10-11,13-14H2,1H3,(H,28,31)
InChIKeyIXXKWXYNOLPIDA-UHFFFAOYSA-N
XLogP5.13
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.97
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)-3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[[4-(4-chlorophenyl)-3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide (CID 23476098) is 2-[[4-(4-chlorophenyl)-3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)-3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[[4-(4-chlorophenyl)-3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide is CN1CCc2nc(SCC(=O)Nc3ccccc3F)c(C#N)c(-c3ccc(Cl)cc3)c2C1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)-3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The InChIKey is IXXKWXYNOLPIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4OS/c1-30-11-10-20-18(13-30)23(15-6-8-16(25)9-7-15)17(12-27)24(29-20)32-14-22(31)28-21-5-3-2-4-19(21)26/h2-9H,10-11,13-14H2,1H3,(H,28,31).
What are the key properties of 2-[[4-(4-chlorophenyl)-3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
2-[[4-(4-chlorophenyl)-3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide has a molecular weight of 466.97 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)-3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 23476098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).