2-[[5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-naphthalen-1-ylacetamide

C25H21N3O2S — CID 3794607

IUPAC2-[[5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-naphthalen-1-ylacetamide
SMILESCc1ccc(C2CC(=O)NC(SCC(=O)Nc3cccc4ccccc34)=C2C#N)cc1
InChIInChI=1S/C25H21N3O2S/c1-16-9-11-18(12-10-16)20-13-23(29)28-25(21(20)14-26)31-15-24(30)27-22-8-4-6-17-5-2-3-7-19(17)22/h2-12,20H,13,15H2,1H3,(H,27,30)(H,28,29)
InChIKeyGPEFDIXXKNRRRA-UHFFFAOYSA-N
MW427.53 g/mol
LogP4.86
Rot. Bonds5

About 2-[[5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-naphthalen-1-ylacetamide

2-[[5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-naphthalen-1-ylacetamide (PubChem CID 3794607) has the molecular formula C25H21N3O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-[[5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[[5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-naphthalen-1-ylacetamide
PubChem CID3794607
Molecular FormulaC25H21N3O2S
Molecular Weight427.53 g/mol
Exact Mass427.14
IUPAC Name2-[[5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-naphthalen-1-ylacetamide
SMILESCc1ccc(C2CC(=O)NC(SCC(=O)Nc3cccc4ccccc34)=C2C#N)cc1
InChIInChI=1S/C25H21N3O2S/c1-16-9-11-18(12-10-16)20-13-23(29)28-25(21(20)14-26)31-15-24(30)27-22-8-4-6-17-5-2-3-7-19(17)22/h2-12,20H,13,15H2,1H3,(H,27,30)(H,28,29)
InChIKeyGPEFDIXXKNRRRA-UHFFFAOYSA-N
XLogP4.86
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[[5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-naphthalen-1-ylacetamide (CID 3794607) is 2-[[5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[[5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[[5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-naphthalen-1-ylacetamide is Cc1ccc(C2CC(=O)NC(SCC(=O)Nc3cccc4ccccc34)=C2C#N)cc1.
What is the InChIKey of 2-[[5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
The InChIKey is GPEFDIXXKNRRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2S/c1-16-9-11-18(12-10-16)20-13-23(29)28-25(21(20)14-26)31-15-24(30)27-22-8-4-6-17-5-2-3-7-19(17)22/h2-12,20H,13,15H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 2-[[5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
2-[[5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-naphthalen-1-ylacetamide has a molecular weight of 427.53 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 3794607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).