N-(4-methylsulfanylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide

C16H16N2O2S — CID 1486114

IUPACN-(4-methylsulfanylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
SMILESC=CCn1cccc(C(=O)Nc2ccc(SC)cc2)c1=O
InChIInChI=1S/C16H16N2O2S/c1-3-10-18-11-4-5-14(16(18)20)15(19)17-12-6-8-13(21-2)9-7-12/h3-9,11H,1,10H2,2H3,(H,17,19)
InChIKeyUBJBRPKNZTUVEK-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.01
Rot. Bonds5

About N-(4-methylsulfanylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide

N-(4-methylsulfanylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide (PubChem CID 1486114) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
PubChem CID1486114
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(4-methylsulfanylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
SMILESC=CCn1cccc(C(=O)Nc2ccc(SC)cc2)c1=O
InChIInChI=1S/C16H16N2O2S/c1-3-10-18-11-4-5-14(16(18)20)15(19)17-12-6-8-13(21-2)9-7-12/h3-9,11H,1,10H2,2H3,(H,17,19)
InChIKeyUBJBRPKNZTUVEK-UHFFFAOYSA-N
XLogP3.01
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-allyl-N-[4-(dimethylamino)phenyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1486116
N-[4-(acetylamino)phenyl]-1-allyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1486117
(2E,4E)-6-[4-(dimethylamino)phenyl]sulfanyl-N-hydroxy-4-methylhepta-2,4-dienamide
CID 10402906
4-(2-Fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide
CID 11404033
2-(4-acetamidophenyl)sulfanyl-N-butan-2-ylacetamide
CID 5010791
N-[4-[2-(7-oxo-4-propyl-1,4-diazepan-1-yl)ethylsulfanyl]phenyl]acetamide
CID 16060998
N-[4-[(2S)-4-methyl-2-[4-(2-methylpropyl)-7-oxo-1,4-diazepan-1-yl]pentyl]sulfanylphenyl]acetamide
CID 16061005
(2Z)-N-{3-[butyl(methyl)amino]propyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)acetamide
CID 16195324
5-chloro-1-methyl-2-oxo-N-phenyl-1,2-dihydro-3-pyridinecarboxamide
CID 1486141
2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
CID 3992711
N-[4-[2-[4-(2-methylpropyl)-7-oxo-1,4-diazepan-1-yl]ethylsulfanyl]phenyl]acetamide
CID 16061003
N-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]acetamide
CID 16318914

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of N-(4-methylsulfanylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide (CID 1486114) is N-(4-methylsulfanylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for N-(4-methylsulfanylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide is C=CCn1cccc(C(=O)Nc2ccc(SC)cc2)c1=O.
What is the InChIKey of N-(4-methylsulfanylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The InChIKey is UBJBRPKNZTUVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-10-18-11-4-5-14(16(18)20)15(19)17-12-6-8-13(21-2)9-7-12/h3-9,11H,1,10H2,2H3,(H,17,19).
What are the key properties of N-(4-methylsulfanylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
N-(4-methylsulfanylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 1486114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).