5-(cyclopenten-1-yl)-1-(2-fluoroethyl)-6-methyl-N-(4-methylphenyl)-4-oxopyridine-3-carboxamide;8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine

C32H35FN4O2S2 — CID 164905111

IUPAC5-(cyclopenten-1-yl)-1-(2-fluoroethyl)-6-methyl-N-(4-methylphenyl)-4-oxopyridine-3-carboxamide;8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine
SMILESCSc1cc2nccc(C)c2nc1SC.Cc1ccc(NC(=O)c2cn(CCF)c(C)c(C3=CCCC3)c2=O)cc1
InChIInChI=1S/C21H23FN2O2.C11H12N2S2/c1-14-7-9-17(10-8-14)23-21(26)18-13-24(12-11-22)15(2)19(20(18)25)16-5-3-4-6-16;1-7-4-5-12-8-6-9(14-2)11(15-3)13-10(7)8/h5,7-10,13H,3-4,6,11-12H2,1-2H3,(H,23,26);4-6H,1-3H3
InChIKeyFTWONDIFRRWTFB-UHFFFAOYSA-N
MW590.79 g/mol
LogP7.64
Rot. Bonds7

About 5-(cyclopenten-1-yl)-1-(2-fluoroethyl)-6-methyl-N-(4-methylphenyl)-4-oxopyridine-3-carboxamide;8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine

5-(cyclopenten-1-yl)-1-(2-fluoroethyl)-6-methyl-N-(4-methylphenyl)-4-oxopyridine-3-carboxamide;8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine (PubChem CID 164905111) has the molecular formula C32H35FN4O2S2 and a molecular weight of 590.79 g/mol. Its IUPAC name is 5-(cyclopenten-1-yl)-1-(2-fluoroethyl)-6-methyl-N-(4-methylphenyl)-4-oxopyridine-3-carboxamide;8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine.

Molecular Properties

Compound Name5-(cyclopenten-1-yl)-1-(2-fluoroethyl)-6-methyl-N-(4-methylphenyl)-4-oxopyridine-3-carboxamide;8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine
PubChem CID164905111
Molecular FormulaC32H35FN4O2S2
Molecular Weight590.79 g/mol
Exact Mass590.22
IUPAC Name5-(cyclopenten-1-yl)-1-(2-fluoroethyl)-6-methyl-N-(4-methylphenyl)-4-oxopyridine-3-carboxamide;8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine
SMILESCSc1cc2nccc(C)c2nc1SC.Cc1ccc(NC(=O)c2cn(CCF)c(C)c(C3=CCCC3)c2=O)cc1
InChIInChI=1S/C21H23FN2O2.C11H12N2S2/c1-14-7-9-17(10-8-14)23-21(26)18-13-24(12-11-22)15(2)19(20(18)25)16-5-3-4-6-16;1-7-4-5-12-8-6-9(14-2)11(15-3)13-10(7)8/h5,7-10,13H,3-4,6,11-12H2,1-2H3,(H,23,26);4-6H,1-3H3
InChIKeyFTWONDIFRRWTFB-UHFFFAOYSA-N
XLogP7.64
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.79
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(cyclopenten-1-yl)-1-(2-fluoroethyl)-6-methyl-N-(4-methylphenyl)-4-oxopyridine-3-carboxamide;8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine with MolForge

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Related Compounds

2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide
CID 105380183
N-(4-methylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169552
5-cyclopentyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
CID 164905096
1-(difluoromethyl)-5-(4-fluorophenyl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-6-methyl-4-oxopyridine-3-carboxamide
CID 165373210
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-quinoxalin-6-ylbenzamide
CID 112845760
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-pyridinyl)benzamide
CID 78794452
6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide
CID 30133873
N-[4-(3-methylphenoxy)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2511417
N-(4-methylphenyl)-4-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 143426015
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 39757967
4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109217395
2-(4-fluorophenyl)-6-methyl-N-(4-methylphenyl)quinoline-4-carboxamide
CID 42749727

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopenten-1-yl)-1-(2-fluoroethyl)-6-methyl-N-(4-methylphenyl)-4-oxopyridine-3-carboxamide;8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine?
The IUPAC name of 5-(cyclopenten-1-yl)-1-(2-fluoroethyl)-6-methyl-N-(4-methylphenyl)-4-oxopyridine-3-carboxamide;8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine (CID 164905111) is 5-(cyclopenten-1-yl)-1-(2-fluoroethyl)-6-methyl-N-(4-methylphenyl)-4-oxopyridine-3-carboxamide;8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine.
What is the SMILES notation for 5-(cyclopenten-1-yl)-1-(2-fluoroethyl)-6-methyl-N-(4-methylphenyl)-4-oxopyridine-3-carboxamide;8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine?
The canonical SMILES for 5-(cyclopenten-1-yl)-1-(2-fluoroethyl)-6-methyl-N-(4-methylphenyl)-4-oxopyridine-3-carboxamide;8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine is CSc1cc2nccc(C)c2nc1SC.Cc1ccc(NC(=O)c2cn(CCF)c(C)c(C3=CCCC3)c2=O)cc1.
What is the InChIKey of 5-(cyclopenten-1-yl)-1-(2-fluoroethyl)-6-methyl-N-(4-methylphenyl)-4-oxopyridine-3-carboxamide;8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine?
The InChIKey is FTWONDIFRRWTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2.C11H12N2S2/c1-14-7-9-17(10-8-14)23-21(26)18-13-24(12-11-22)15(2)19(20(18)25)16-5-3-4-6-16;1-7-4-5-12-8-6-9(14-2)11(15-3)13-10(7)8/h5,7-10,13H,3-4,6,11-12H2,1-2H3,(H,23,26);4-6H,1-3H3.
What are the key properties of 5-(cyclopenten-1-yl)-1-(2-fluoroethyl)-6-methyl-N-(4-methylphenyl)-4-oxopyridine-3-carboxamide;8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine?
5-(cyclopenten-1-yl)-1-(2-fluoroethyl)-6-methyl-N-(4-methylphenyl)-4-oxopyridine-3-carboxamide;8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine has a molecular weight of 590.79 g/mol, XLogP of 7.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopenten-1-yl)-1-(2-fluoroethyl)-6-methyl-N-(4-methylphenyl)-4-oxopyridine-3-carboxamide;8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine is sourced from PubChem (CID 164905111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).