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

C18H16Cl2N4OS — CID 1086232

IUPAC2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide
SMILESCN1CCc2nc(SCC(=O)Nc3c(Cl)cccc3Cl)c(C#N)cc2C1
InChIInChI=1S/C18H16Cl2N4OS/c1-24-6-5-15-12(9-24)7-11(8-21)18(22-15)26-10-16(25)23-17-13(19)3-2-4-14(17)20/h2-4,7H,5-6,9-10H2,1H3,(H,23,25)
InChIKeyOSBFGPOOCHZKQR-UHFFFAOYSA-N
MW407.33 g/mol
LogP3.98
Rot. Bonds4

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

2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide (PubChem CID 1086232) has the molecular formula C18H16Cl2N4OS and a molecular weight of 407.33 g/mol. Its IUPAC name is 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide
PubChem CID1086232
Molecular FormulaC18H16Cl2N4OS
Molecular Weight407.33 g/mol
Exact Mass406.04
IUPAC Name2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide
SMILESCN1CCc2nc(SCC(=O)Nc3c(Cl)cccc3Cl)c(C#N)cc2C1
InChIInChI=1S/C18H16Cl2N4OS/c1-24-6-5-15-12(9-24)7-11(8-21)18(22-15)26-10-16(25)23-17-13(19)3-2-4-14(17)20/h2-4,7H,5-6,9-10H2,1H3,(H,23,25)
InChIKeyOSBFGPOOCHZKQR-UHFFFAOYSA-N
XLogP3.98
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetamide
CID 1005160
N-(5-chloro-2-cyanophenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
CID 78830896
3-[[2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetyl]amino]benzoic acid
CID 23972918
ethyl 2-[[2-[(6-benzyl-3-cyano-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetyl]amino]benzoate
CID 45032055
2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(6-chloro-2-pyridinyl)acetamide
CID 3327311
2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 5084092
2-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3293142
N-(3-butoxyphenyl)-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetamide
CID 3949170
N-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide
CID 1076923
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 1086238
6-benzyl-2-ethylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 930508
2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 23916917

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-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide (CID 1086232) is 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide is CN1CCc2nc(SCC(=O)Nc3c(Cl)cccc3Cl)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-(2,6-dichlorophenyl)acetamide?
The InChIKey is OSBFGPOOCHZKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4OS/c1-24-6-5-15-12(9-24)7-11(8-21)18(22-15)26-10-16(25)23-17-13(19)3-2-4-14(17)20/h2-4,7H,5-6,9-10H2,1H3,(H,23,25).
What are the key properties of 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide?
2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 407.33 g/mol, XLogP of 3.98, 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-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 1086232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).