5-N-methyl-4-oxo-1-(2-phenylethyl)-3-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide

C21H21N3O3S — CID 42540345

IUPAC5-N-methyl-4-oxo-1-(2-phenylethyl)-3-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NCc2ccsc2)c1=O
InChIInChI=1S/C21H21N3O3S/c1-22-20(26)17-12-24(9-7-15-5-3-2-4-6-15)13-18(19(17)25)21(27)23-11-16-8-10-28-14-16/h2-6,8,10,12-14H,7,9,11H2,1H3,(H,22,26)(H,23,27)
InChIKeyQXVCGRYRQFVMCQ-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.44
Rot. Bonds7

About 5-N-methyl-4-oxo-1-(2-phenylethyl)-3-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide

5-N-methyl-4-oxo-1-(2-phenylethyl)-3-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 42540345) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 5-N-methyl-4-oxo-1-(2-phenylethyl)-3-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-methyl-4-oxo-1-(2-phenylethyl)-3-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID42540345
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name5-N-methyl-4-oxo-1-(2-phenylethyl)-3-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NCc2ccsc2)c1=O
InChIInChI=1S/C21H21N3O3S/c1-22-20(26)17-12-24(9-7-15-5-3-2-4-6-15)13-18(19(17)25)21(27)23-11-16-8-10-28-14-16/h2-6,8,10,12-14H,7,9,11H2,1H3,(H,22,26)(H,23,27)
InChIKeyQXVCGRYRQFVMCQ-UHFFFAOYSA-N
XLogP2.44
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-ethyl-3-N-(naphthalen-1-ylmethyl)-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 42368833
5-N-methyl-3-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 42164931
3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 42246054
5-[(1,3-dimethylpyrrolidin-3-yl)methylcarbamoyl]-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid
CID 131897342
3-N-cyclooctyl-4-oxo-1-[[(2R)-oxolan-2-yl]methyl]-5-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 26353685
3-N-cyclooctyl-4-oxo-1-[[(2S)-oxolan-2-yl]methyl]-5-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 26353682
3-N-[(1R)-1-(2-chlorophenyl)ethyl]-5-N-ethyl-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 26332016
2-methyl-5-sulfanyl-N-(thiophen-3-ylmethyl)benzamide
CID 107029562
N-methyl-3-[[[N'-methyl-N-(thiophen-3-ylmethyl)carbamimidoyl]amino]methyl]benzamide
CID 111940417
5-N-ethyl-4-oxo-1-(2-phenylethyl)-3-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3,5-dicarboxamide
CID 25290308
2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide
CID 103892000
5-N-methyl-1-(3-methylbutyl)-4-oxo-3-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide
CID 42429564

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-4-oxo-1-(2-phenylethyl)-3-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-methyl-4-oxo-1-(2-phenylethyl)-3-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide (CID 42540345) is 5-N-methyl-4-oxo-1-(2-phenylethyl)-3-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-methyl-4-oxo-1-(2-phenylethyl)-3-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-methyl-4-oxo-1-(2-phenylethyl)-3-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide is CNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NCc2ccsc2)c1=O.
What is the InChIKey of 5-N-methyl-4-oxo-1-(2-phenylethyl)-3-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is QXVCGRYRQFVMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-22-20(26)17-12-24(9-7-15-5-3-2-4-6-15)13-18(19(17)25)21(27)23-11-16-8-10-28-14-16/h2-6,8,10,12-14H,7,9,11H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 5-N-methyl-4-oxo-1-(2-phenylethyl)-3-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide?
5-N-methyl-4-oxo-1-(2-phenylethyl)-3-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 395.48 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-4-oxo-1-(2-phenylethyl)-3-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 42540345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).