N-(2-benzylsulfanylethyl)-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide

C19H24N2O2S — CID 77096387

IUPACN-(2-benzylsulfanylethyl)-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCCn1c(C)cc(C)c(C(=O)NCCSCc2ccccc2)c1=O
InChIInChI=1S/C19H24N2O2S/c1-4-21-15(3)12-14(2)17(19(21)23)18(22)20-10-11-24-13-16-8-6-5-7-9-16/h5-9,12H,4,10-11,13H2,1-3H3,(H,20,22)
InChIKeyCYVCUBWVZPAIFW-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.15
Rot. Bonds7

About N-(2-benzylsulfanylethyl)-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide

N-(2-benzylsulfanylethyl)-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 77096387) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-(2-benzylsulfanylethyl)-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylethyl)-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID77096387
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-(2-benzylsulfanylethyl)-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCCn1c(C)cc(C)c(C(=O)NCCSCc2ccccc2)c1=O
InChIInChI=1S/C19H24N2O2S/c1-4-21-15(3)12-14(2)17(19(21)23)18(22)20-10-11-24-13-16-8-6-5-7-9-16/h5-9,12H,4,10-11,13H2,1-3H3,(H,20,22)
InChIKeyCYVCUBWVZPAIFW-UHFFFAOYSA-N
XLogP3.15
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4,6-dimethyl-2-oxo-N-prop-2-enylpyridine-3-carboxamide
CID 23850576
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CID 18271711
1-(2-benzylsulfanylethyl)-3-propylurea
CID 94870511
1-benzyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 23855308
N-(2-benzylsulfanylethyl)-3-methyl-4-nitrobenzamide
CID 27861111
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CID 9470309
N-(2-benzylsulfanylethyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 7488695
N-(2-benzylsulfanylethyl)-2-methoxy-5-methylbenzamide
CID 9470342
N-(2-benzylsulfanylethyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 11561076
(2R)-N-(2-benzylsulfanylethyl)-2-(2,3-dimethylphenoxy)butanamide
CID 99954618
N-(2-benzylsulfanylethyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 100765199
1-(2-benzylsulfanylethyl)-3-(4-bromo-2-methylphenyl)urea
CID 3869788

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylethyl)-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(2-benzylsulfanylethyl)-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide (CID 77096387) is N-(2-benzylsulfanylethyl)-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2-benzylsulfanylethyl)-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2-benzylsulfanylethyl)-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide is CCn1c(C)cc(C)c(C(=O)NCCSCc2ccccc2)c1=O.
What is the InChIKey of N-(2-benzylsulfanylethyl)-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is CYVCUBWVZPAIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-4-21-15(3)12-14(2)17(19(21)23)18(22)20-10-11-24-13-16-8-6-5-7-9-16/h5-9,12H,4,10-11,13H2,1-3H3,(H,20,22).
What are the key properties of N-(2-benzylsulfanylethyl)-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide?
N-(2-benzylsulfanylethyl)-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylethyl)-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 77096387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).