6-(hydroxymethyl)-N-[4-(propanoylamino)phenyl]sulfonylpyridine-3-carboxamide

C16H17N3O5S — CID 67866388

IUPAC6-(hydroxymethyl)-N-[4-(propanoylamino)phenyl]sulfonylpyridine-3-carboxamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(CO)nc2)cc1
InChIInChI=1S/C16H17N3O5S/c1-2-15(21)18-12-5-7-14(8-6-12)25(23,24)19-16(22)11-3-4-13(10-20)17-9-11/h3-9,20H,2,10H2,1H3,(H,18,21)(H,19,22)
InChIKeyAKGQVWMMLVWMCF-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.04
Rot. Bonds6

About 6-(hydroxymethyl)-N-[4-(propanoylamino)phenyl]sulfonylpyridine-3-carboxamide

6-(hydroxymethyl)-N-[4-(propanoylamino)phenyl]sulfonylpyridine-3-carboxamide (PubChem CID 67866388) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 6-(hydroxymethyl)-N-[4-(propanoylamino)phenyl]sulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(hydroxymethyl)-N-[4-(propanoylamino)phenyl]sulfonylpyridine-3-carboxamide
PubChem CID67866388
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name6-(hydroxymethyl)-N-[4-(propanoylamino)phenyl]sulfonylpyridine-3-carboxamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(CO)nc2)cc1
InChIInChI=1S/C16H17N3O5S/c1-2-15(21)18-12-5-7-14(8-6-12)25(23,24)19-16(22)11-3-4-13(10-20)17-9-11/h3-9,20H,2,10H2,1H3,(H,18,21)(H,19,22)
InChIKeyAKGQVWMMLVWMCF-UHFFFAOYSA-N
XLogP1.04
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(hydroxymethyl)-N-[4-(propanoylamino)phenyl]sulfonylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(hydroxymethyl)-N-[4-(propylcarbamoyl)phenyl]sulfonylpyridine-3-carboxamide
CID 67866022
6-(hydroxymethyl)-N-(4-propan-2-yloxyphenyl)sulfonylpyridine-3-carboxamide
CID 67865997
6-(hydroxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-3-carboxamide
CID 67866037
5-N-(4-acetamidophenyl)sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 19970615
6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120121
N-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide
CID 139634727
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013
5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928163
N-[3-(6-chlorohexylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide
CID 139634775
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 6493247
methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928397

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-N-[4-(propanoylamino)phenyl]sulfonylpyridine-3-carboxamide?
The IUPAC name of 6-(hydroxymethyl)-N-[4-(propanoylamino)phenyl]sulfonylpyridine-3-carboxamide (CID 67866388) is 6-(hydroxymethyl)-N-[4-(propanoylamino)phenyl]sulfonylpyridine-3-carboxamide.
What is the SMILES notation for 6-(hydroxymethyl)-N-[4-(propanoylamino)phenyl]sulfonylpyridine-3-carboxamide?
The canonical SMILES for 6-(hydroxymethyl)-N-[4-(propanoylamino)phenyl]sulfonylpyridine-3-carboxamide is CCC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(CO)nc2)cc1.
What is the InChIKey of 6-(hydroxymethyl)-N-[4-(propanoylamino)phenyl]sulfonylpyridine-3-carboxamide?
The InChIKey is AKGQVWMMLVWMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-2-15(21)18-12-5-7-14(8-6-12)25(23,24)19-16(22)11-3-4-13(10-20)17-9-11/h3-9,20H,2,10H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 6-(hydroxymethyl)-N-[4-(propanoylamino)phenyl]sulfonylpyridine-3-carboxamide?
6-(hydroxymethyl)-N-[4-(propanoylamino)phenyl]sulfonylpyridine-3-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-N-[4-(propanoylamino)phenyl]sulfonylpyridine-3-carboxamide is sourced from PubChem (CID 67866388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).