2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide

C18H17N3O2S — CID 86795250

IUPAC2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
SMILESC=CCSc1ccccc1NC(=O)Cn1ccc(C)c(C#N)c1=O
InChIInChI=1S/C18H17N3O2S/c1-3-10-24-16-7-5-4-6-15(16)20-17(22)12-21-9-8-13(2)14(11-19)18(21)23/h3-9H,1,10,12H2,2H3,(H,20,22)
InChIKeyTVNDKOFUUFRIHQ-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.95
Rot. Bonds6

About 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide

2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide (PubChem CID 86795250) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
PubChem CID86795250
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
SMILESC=CCSc1ccccc1NC(=O)Cn1ccc(C)c(C#N)c1=O
InChIInChI=1S/C18H17N3O2S/c1-3-10-24-16-7-5-4-6-15(16)20-17(22)12-21-9-8-13(2)14(11-19)18(21)23/h3-9H,1,10,12H2,2H3,(H,20,22)
InChIKeyTVNDKOFUUFRIHQ-UHFFFAOYSA-N
XLogP2.95
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 75505848
3-oxo-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 54867229
2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 14995592
2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 75522082
N-(1-cyano-1-cyclopropylethyl)-2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)acetamide
CID 75507373
5-amino-4-methyl-N-(2-prop-2-enylsulfanylphenyl)pentanamide
CID 82012481
2-[4-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperazin-1-yl]-N-propylacetamide
CID 18088532
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]azanium
CID 9043223
ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate
CID 60661108
2-(4-cyclopropylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 60595733
2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 39965678
4-methyl-1-(methylsulfanylmethyl)-2-oxopyridine-3-carbonitrile
CID 126997451

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The IUPAC name of 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide (CID 86795250) is 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide is C=CCSc1ccccc1NC(=O)Cn1ccc(C)c(C#N)c1=O.
What is the InChIKey of 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The InChIKey is TVNDKOFUUFRIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-3-10-24-16-7-5-4-6-15(16)20-17(22)12-21-9-8-13(2)14(11-19)18(21)23/h3-9H,1,10,12H2,2H3,(H,20,22).
What are the key properties of 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide?
2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide has a molecular weight of 339.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide is sourced from PubChem (CID 86795250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).