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

C20H22N4O2S — CID 644695

IUPAC2-[(3-cyano-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
SMILESCCN1CCc2nc(SCC(=O)Nc3ccc(OC)cc3)c(C#N)cc2C1
InChIInChI=1S/C20H22N4O2S/c1-3-24-9-8-18-15(12-24)10-14(11-21)20(23-18)27-13-19(25)22-16-4-6-17(26-2)7-5-16/h4-7,10H,3,8-9,12-13H2,1-2H3,(H,22,25)
InChIKeyJZORSUIGNQUEEN-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.07
Rot. Bonds6

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

2-[(3-cyano-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide (PubChem CID 644695) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[(3-cyano-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
PubChem CID644695
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name2-[(3-cyano-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
SMILESCCN1CCc2nc(SCC(=O)Nc3ccc(OC)cc3)c(C#N)cc2C1
InChIInChI=1S/C20H22N4O2S/c1-3-24-9-8-18-15(12-24)10-14(11-21)20(23-18)27-13-19(25)22-16-4-6-17(26-2)7-5-16/h4-7,10H,3,8-9,12-13H2,1-2H3,(H,22,25)
InChIKeyJZORSUIGNQUEEN-UHFFFAOYSA-N
XLogP3.07
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3-cyano-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide 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 2-[(3-cyano-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(3-cyano-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide (CID 644695) is 2-[(3-cyano-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide is CCN1CCc2nc(SCC(=O)Nc3ccc(OC)cc3)c(C#N)cc2C1.
What is the InChIKey of 2-[(3-cyano-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is JZORSUIGNQUEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-3-24-9-8-18-15(12-24)10-14(11-21)20(23-18)27-13-19(25)22-16-4-6-17(26-2)7-5-16/h4-7,10H,3,8-9,12-13H2,1-2H3,(H,22,25).
What are the key properties of 2-[(3-cyano-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
2-[(3-cyano-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 382.49 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 644695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).