N-(1-cyano-1-cyclopropylethyl)-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide

C15H20N4O4S — CID 42902894

IUPACN-(1-cyano-1-cyclopropylethyl)-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NC(C)(C#N)C2CC2)c1
InChIInChI=1S/C15H20N4O4S/c1-15(10-16,11-4-5-11)17-13(20)9-19-8-12(6-7-14(19)21)24(22,23)18(2)3/h6-8,11H,4-5,9H2,1-3H3,(H,17,20)
InChIKeyNQYMHFPWQSSHHA-UHFFFAOYSA-N
MW352.42 g/mol
LogP-0.09
Rot. Bonds6

About N-(1-cyano-1-cyclopropylethyl)-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide

N-(1-cyano-1-cyclopropylethyl)-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide (PubChem CID 42902894) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-(1-cyano-1-cyclopropylethyl)-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclopropylethyl)-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
PubChem CID42902894
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC NameN-(1-cyano-1-cyclopropylethyl)-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NC(C)(C#N)C2CC2)c1
InChIInChI=1S/C15H20N4O4S/c1-15(10-16,11-4-5-11)17-13(20)9-19-8-12(6-7-14(19)21)24(22,23)18(2)3/h6-8,11H,4-5,9H2,1-3H3,(H,17,20)
InChIKeyNQYMHFPWQSSHHA-UHFFFAOYSA-N
XLogP-0.09
TPSA112.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7633502
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7828878
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide
CID 7828901
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7829056
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-sulfamoylphenyl)acetamide
CID 38932613
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7998536
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-phenylacetamide
CID 7828941
methyl 1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidine-4-carboxylate
CID 9236283
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 51215892
1-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 7828944
1-[2-(1-adamantyl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 24530870
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 7169731

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide (CID 42902894) is N-(1-cyano-1-cyclopropylethyl)-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(1-cyano-1-cyclopropylethyl)-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(1-cyano-1-cyclopropylethyl)-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide is CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NC(C)(C#N)C2CC2)c1.
What is the InChIKey of N-(1-cyano-1-cyclopropylethyl)-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
The InChIKey is NQYMHFPWQSSHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-15(10-16,11-4-5-11)17-13(20)9-19-8-12(6-7-14(19)21)24(22,23)18(2)3/h6-8,11H,4-5,9H2,1-3H3,(H,17,20).
What are the key properties of N-(1-cyano-1-cyclopropylethyl)-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
N-(1-cyano-1-cyclopropylethyl)-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide has a molecular weight of 352.42 g/mol, XLogP of -0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1-cyclopropylethyl)-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 42902894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).