2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide

C19H15N3O2S — CID 2370325

IUPAC2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)Nc2cccc3ccccc23)c1C#N
InChIInChI=1S/C19H15N3O2S/c1-12-9-17(23)22-19(15(12)10-20)25-11-18(24)21-16-8-4-6-13-5-2-3-7-14(13)16/h2-9H,11H2,1H3,(H,21,24)(H,22,23)
InChIKeySNODLIOFGYJKHO-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.44
Rot. Bonds4

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

2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide (PubChem CID 2370325) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
PubChem CID2370325
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)Nc2cccc3ccccc23)c1C#N
InChIInChI=1S/C19H15N3O2S/c1-12-9-17(23)22-19(15(12)10-20)25-11-18(24)21-16-8-4-6-13-5-2-3-7-14(13)16/h2-9H,11H2,1H3,(H,21,24)(H,22,23)
InChIKeySNODLIOFGYJKHO-UHFFFAOYSA-N
XLogP3.44
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide (CID 2370325) is 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide is Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc3ccccc23)c1C#N.
What is the InChIKey of 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide?
The InChIKey is SNODLIOFGYJKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-12-9-17(23)22-19(15(12)10-20)25-11-18(24)21-16-8-4-6-13-5-2-3-7-14(13)16/h2-9H,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide?
2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide has a molecular weight of 349.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 2370325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).