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

C17H19N3O5S — CID 67866022

IUPAC6-(hydroxymethyl)-N-[4-(propylcarbamoyl)phenyl]sulfonylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(CO)nc2)cc1
InChIInChI=1S/C17H19N3O5S/c1-2-9-18-16(22)12-4-7-15(8-5-12)26(24,25)20-17(23)13-3-6-14(11-21)19-10-13/h3-8,10,21H,2,9,11H2,1H3,(H,18,22)(H,20,23)
InChIKeyWMQDPLKCSJFQDX-UHFFFAOYSA-N
MW377.42 g/mol
LogP0.83
Rot. Bonds7

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

6-(hydroxymethyl)-N-[4-(propylcarbamoyl)phenyl]sulfonylpyridine-3-carboxamide (PubChem CID 67866022) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 6-(hydroxymethyl)-N-[4-(propylcarbamoyl)phenyl]sulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(hydroxymethyl)-N-[4-(propylcarbamoyl)phenyl]sulfonylpyridine-3-carboxamide
PubChem CID67866022
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name6-(hydroxymethyl)-N-[4-(propylcarbamoyl)phenyl]sulfonylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(CO)nc2)cc1
InChIInChI=1S/C17H19N3O5S/c1-2-9-18-16(22)12-4-7-15(8-5-12)26(24,25)20-17(23)13-3-6-14(11-21)19-10-13/h3-8,10,21H,2,9,11H2,1H3,(H,18,22)(H,20,23)
InChIKeyWMQDPLKCSJFQDX-UHFFFAOYSA-N
XLogP0.83
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(hydroxymethyl)-N-[4-(propanoylamino)phenyl]sulfonylpyridine-3-carboxamide
CID 67866388
6-(hydroxymethyl)-N-(4-propan-2-yloxyphenyl)sulfonylpyridine-3-carboxamide
CID 67865997
N-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide
CID 139634727
6-(hydroxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-3-carboxamide
CID 67866037
N-[3-(6-chlorohexylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide
CID 139634775
ethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928116
5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928163
N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonyl-6-(phenylmethoxymethyl)pyridine-3-carboxamide
CID 139634763
methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928397
propyl 5-[[4-(hexylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928501
[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70213172
[5-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
CID 70212189

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-N-[4-(propylcarbamoyl)phenyl]sulfonylpyridine-3-carboxamide?
The IUPAC name of 6-(hydroxymethyl)-N-[4-(propylcarbamoyl)phenyl]sulfonylpyridine-3-carboxamide (CID 67866022) is 6-(hydroxymethyl)-N-[4-(propylcarbamoyl)phenyl]sulfonylpyridine-3-carboxamide.
What is the SMILES notation for 6-(hydroxymethyl)-N-[4-(propylcarbamoyl)phenyl]sulfonylpyridine-3-carboxamide?
The canonical SMILES for 6-(hydroxymethyl)-N-[4-(propylcarbamoyl)phenyl]sulfonylpyridine-3-carboxamide is CCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(CO)nc2)cc1.
What is the InChIKey of 6-(hydroxymethyl)-N-[4-(propylcarbamoyl)phenyl]sulfonylpyridine-3-carboxamide?
The InChIKey is WMQDPLKCSJFQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-2-9-18-16(22)12-4-7-15(8-5-12)26(24,25)20-17(23)13-3-6-14(11-21)19-10-13/h3-8,10,21H,2,9,11H2,1H3,(H,18,22)(H,20,23).
What are the key properties of 6-(hydroxymethyl)-N-[4-(propylcarbamoyl)phenyl]sulfonylpyridine-3-carboxamide?
6-(hydroxymethyl)-N-[4-(propylcarbamoyl)phenyl]sulfonylpyridine-3-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-N-[4-(propylcarbamoyl)phenyl]sulfonylpyridine-3-carboxamide is sourced from PubChem (CID 67866022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).