5-(1-cyclohexylprop-1-enyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide

C23H30N2O2S — CID 123433935

IUPAC5-(1-cyclohexylprop-1-enyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
SMILESCC=C(c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCCCC1
InChIInChI=1S/C23H30N2O2S/c1-5-18(17-9-7-6-8-10-17)21-16(4)20(13-28-21)22(26)24-12-19-14(2)11-15(3)25-23(19)27/h5,11,13,17H,6-10,12H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyGNIIRGDAFDILIZ-UHFFFAOYSA-N
MW398.57 g/mol
LogP5.28
Rot. Bonds5

About 5-(1-cyclohexylprop-1-enyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide

5-(1-cyclohexylprop-1-enyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide (PubChem CID 123433935) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is 5-(1-cyclohexylprop-1-enyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-(1-cyclohexylprop-1-enyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
PubChem CID123433935
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC Name5-(1-cyclohexylprop-1-enyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
SMILESCC=C(c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCCCC1
InChIInChI=1S/C23H30N2O2S/c1-5-18(17-9-7-6-8-10-17)21-16(4)20(13-28-21)22(26)24-12-19-14(2)11-15(3)25-23(19)27/h5,11,13,17H,6-10,12H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyGNIIRGDAFDILIZ-UHFFFAOYSA-N
XLogP5.28
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.57
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[1-[4-(3-methylbutan-2-yl)cyclohexyl]prop-1-enyl]thiophene-3-carboxamide
CID 123689945
tert-butyl 4-[1-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-3-methylthiophen-2-yl]prop-1-enyl]piperidine-1-carboxylate
CID 123608787
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(ethylamino)-4-methylthiophene-3-carboxamide;ethane;methylcyclohexane
CID 144740565
5-[6-[4-(dimethylamino)piperidin-1-yl]hex-2-en-3-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
CID 140752943
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(2-methylpyrrolidin-1-yl)thiophene-3-carboxamide
CID 86763480
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(hydroxymethyl)-4-methylthiophene-3-carboxamide
CID 137383779
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxamide
CID 123187472
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[(Z)-6-[pentyl(propyl)amino]hex-2-en-3-yl]thiophene-3-carboxamide
CID 137383780
5-[(4-aminocyclohexyl)-(hydroxyamino)methyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
CID 123169600
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[1-(1-pyrimidin-2-ylpiperidin-4-ylidene)propyl]thiophene-3-carboxamide
CID 121305330
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide
CID 90150987
5-chloro-3-[cyclohexyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 66576312

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexylprop-1-enyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
The IUPAC name of 5-(1-cyclohexylprop-1-enyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide (CID 123433935) is 5-(1-cyclohexylprop-1-enyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-(1-cyclohexylprop-1-enyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for 5-(1-cyclohexylprop-1-enyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide is CC=C(c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCCCC1.
What is the InChIKey of 5-(1-cyclohexylprop-1-enyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
The InChIKey is GNIIRGDAFDILIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2S/c1-5-18(17-9-7-6-8-10-17)21-16(4)20(13-28-21)22(26)24-12-19-14(2)11-15(3)25-23(19)27/h5,11,13,17H,6-10,12H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of 5-(1-cyclohexylprop-1-enyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
5-(1-cyclohexylprop-1-enyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide has a molecular weight of 398.57 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexylprop-1-enyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 123433935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).