6-(4-methylphenyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxamide

C17H16N2O2S — CID 23937458

IUPAC6-(4-methylphenyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxamide
SMILESCc1ccc(C2=CC(c3cccs3)C(C(N)=O)C(=O)N2)cc1
InChIInChI=1S/C17H16N2O2S/c1-10-4-6-11(7-5-10)13-9-12(14-3-2-8-22-14)15(16(18)20)17(21)19-13/h2-9,12,15H,1H3,(H2,18,20)(H,19,21)
InChIKeyJAFRVPHTUQSYRJ-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.41
Rot. Bonds3

About 6-(4-methylphenyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxamide

6-(4-methylphenyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxamide (PubChem CID 23937458) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methylphenyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxamide
PubChem CID23937458
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name6-(4-methylphenyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxamide
SMILESCc1ccc(C2=CC(c3cccs3)C(C(N)=O)C(=O)N2)cc1
InChIInChI=1S/C17H16N2O2S/c1-10-4-6-11(7-5-10)13-9-12(14-3-2-8-22-14)15(16(18)20)17(21)19-13/h2-9,12,15H,1H3,(H2,18,20)(H,19,21)
InChIKeyJAFRVPHTUQSYRJ-UHFFFAOYSA-N
XLogP2.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methyl-6-(4-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
CID 90656524
6-methyl-2-methylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3,5-dicarboxamide
CID 4746826
2-(4-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 4976973
(3-methoxyphenyl)-[(3R)-5-(4-methylphenyl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]methanone
CID 2141954
7-phenyl-2-sulfanylidene-5-thiophen-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
CID 23966374
(3R,4R)-3-hydroxy-3-methyl-4-thiophen-2-ylazetidin-2-one
CID 10749971
ethyl (2R,3S)-4-oxo-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate
CID 10314786
(3R,4S)-6-amino-5-cyano-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxamide
CID 11129626
1-(6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-5-yl)ethanone
CID 6612402
4-thiophen-2-ylpyrrolidine-3-carboxamide
CID 175830204
(3R,4R)-3-hydroxy-4-thiophen-2-ylazetidin-2-one
CID 54262037
3-hydroxy-4-thiophen-2-ylazetidin-2-one
CID 11988427

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(4-methylphenyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxamide (CID 23937458) is 6-(4-methylphenyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-methylphenyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(4-methylphenyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxamide is Cc1ccc(C2=CC(c3cccs3)C(C(N)=O)C(=O)N2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxamide?
The InChIKey is JAFRVPHTUQSYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-10-4-6-11(7-5-10)13-9-12(14-3-2-8-22-14)15(16(18)20)17(21)19-13/h2-9,12,15H,1H3,(H2,18,20)(H,19,21).
What are the key properties of 6-(4-methylphenyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxamide?
6-(4-methylphenyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxamide is sourced from PubChem (CID 23937458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).