2-N-methyl-5-N-(1-phenylethylsulfonyl)pyridine-2,5-dicarboxamide

C16H17N3O4S — CID 166210961

IUPAC2-N-methyl-5-N-(1-phenylethylsulfonyl)pyridine-2,5-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)NS(=O)(=O)C(C)c2ccccc2)cn1
InChIInChI=1S/C16H17N3O4S/c1-11(12-6-4-3-5-7-12)24(22,23)19-15(20)13-8-9-14(18-10-13)16(21)17-2/h3-11H,1-2H3,(H,17,21)(H,19,20)
InChIKeyCCCJQDQBWNMCQG-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.26
Rot. Bonds5

About 2-N-methyl-5-N-(1-phenylethylsulfonyl)pyridine-2,5-dicarboxamide

2-N-methyl-5-N-(1-phenylethylsulfonyl)pyridine-2,5-dicarboxamide (PubChem CID 166210961) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-N-methyl-5-N-(1-phenylethylsulfonyl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-methyl-5-N-(1-phenylethylsulfonyl)pyridine-2,5-dicarboxamide
PubChem CID166210961
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name2-N-methyl-5-N-(1-phenylethylsulfonyl)pyridine-2,5-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)NS(=O)(=O)C(C)c2ccccc2)cn1
InChIInChI=1S/C16H17N3O4S/c1-11(12-6-4-3-5-7-12)24(22,23)19-15(20)13-8-9-14(18-10-13)16(21)17-2/h3-11H,1-2H3,(H,17,21)(H,19,20)
InChIKeyCCCJQDQBWNMCQG-UHFFFAOYSA-N
XLogP1.26
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 54564954
5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636
5-N-(2-aminophenyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 53245480
2-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-N-(1-phenylethyl)pyridine-2,5-dicarboxamide
CID 167008521
4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
CID 90126567
N-methylbenzamide;sulfuryl dichloride
CID 158851255
3-(4-tert-butylphenyl)-3-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]propanoic acid
CID 120520484
5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
CID 77005050
5-[(2-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19970342
ethane;N-methylbenzamide;2-methylpropane
CID 161462553
N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide
CID 27299317
lithium;hydride;N-methylbenzamide
CID 173287348

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-5-N-(1-phenylethylsulfonyl)pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-methyl-5-N-(1-phenylethylsulfonyl)pyridine-2,5-dicarboxamide (CID 166210961) is 2-N-methyl-5-N-(1-phenylethylsulfonyl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-methyl-5-N-(1-phenylethylsulfonyl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-methyl-5-N-(1-phenylethylsulfonyl)pyridine-2,5-dicarboxamide is CNC(=O)c1ccc(C(=O)NS(=O)(=O)C(C)c2ccccc2)cn1.
What is the InChIKey of 2-N-methyl-5-N-(1-phenylethylsulfonyl)pyridine-2,5-dicarboxamide?
The InChIKey is CCCJQDQBWNMCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-11(12-6-4-3-5-7-12)24(22,23)19-15(20)13-8-9-14(18-10-13)16(21)17-2/h3-11H,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-N-methyl-5-N-(1-phenylethylsulfonyl)pyridine-2,5-dicarboxamide?
2-N-methyl-5-N-(1-phenylethylsulfonyl)pyridine-2,5-dicarboxamide has a molecular weight of 347.40 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-5-N-(1-phenylethylsulfonyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 166210961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).