2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide

C17H16N4OS — CID 767653

IUPAC2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
SMILESN#Cc1c(SCC(N)=O)nc2c(c1-c1ccncc1)CCCC2
InChIInChI=1S/C17H16N4OS/c18-9-13-16(11-5-7-20-8-6-11)12-3-1-2-4-14(12)21-17(13)23-10-15(19)22/h5-8H,1-4,10H2,(H2,19,22)
InChIKeyWQILOHOVMWGFOM-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.47
Rot. Bonds4

About 2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide

2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide (PubChem CID 767653) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
PubChem CID767653
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
SMILESN#Cc1c(SCC(N)=O)nc2c(c1-c1ccncc1)CCCC2
InChIInChI=1S/C17H16N4OS/c18-9-13-16(11-5-7-20-8-6-11)12-3-1-2-4-14(12)21-17(13)23-10-15(19)22/h5-8H,1-4,10H2,(H2,19,22)
InChIKeyWQILOHOVMWGFOM-UHFFFAOYSA-N
XLogP2.47
TPSA92.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide with MolForge

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Related Compounds

2-(4-Cyano-1-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetamide
CID 929998
1-[(2-cyano-3-pyridinyl)methylsulfanyl]-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
CID 57396258
2-(3-Cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide
CID 2046490
4-[(3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]-N-methylpyridine-2-carboxamide
CID 68614454
2-(Pyridin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydro-quinoline-3-carbonitrile
CID 648350
2-(3-Cyano-6-methyl-4-phenyl-pyridin-2-ylsulfanyl)-acetamide
CID 648486
2-{[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
CID 657904
6-Ethyl-5-methyl-2-[(pyridin-3-ylmethyl)sulfanyl]nicotinonitrile
CID 660204
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide
CID 660795
6-Ethylsulfanyl-[2,3']bipyridinyl-5-carbonitrile
CID 912276
2-[(3-Fluorophenyl)methylsulfanyl]-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
CID 931521
2-(Cyanomethylsulfanyl)-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
CID 1982375

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide (CID 767653) is 2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide is N#Cc1c(SCC(N)=O)nc2c(c1-c1ccncc1)CCCC2.
What is the InChIKey of 2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide?
The InChIKey is WQILOHOVMWGFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c18-9-13-16(11-5-7-20-8-6-11)12-3-1-2-4-14(12)21-17(13)23-10-15(19)22/h5-8H,1-4,10H2,(H2,19,22).
What are the key properties of 2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide?
2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide has a molecular weight of 324.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 767653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).