3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide

C13H16N2O4S — CID 66483043

IUPAC3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1ccncc1C#CCCO
InChIInChI=1S/C13H16N2O4S/c1-20(18,19)9-7-15-13(17)12-5-6-14-10-11(12)4-2-3-8-16/h5-6,10,16H,3,7-9H2,1H3,(H,15,17)
InChIKeyLJPOZHZIYTXJHF-UHFFFAOYSA-N
MW296.35 g/mol
LogP-0.41
Rot. Bonds5

About 3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide

3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide (PubChem CID 66483043) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
PubChem CID66483043
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1ccncc1C#CCCO
InChIInChI=1S/C13H16N2O4S/c1-20(18,19)9-7-15-13(17)12-5-6-14-10-11(12)4-2-3-8-16/h5-6,10,16H,3,7-9H2,1H3,(H,15,17)
InChIKeyLJPOZHZIYTXJHF-UHFFFAOYSA-N
XLogP-0.41
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-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

3-(3-aminoprop-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 66484649
3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 107521470
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 106240662
3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
CID 66483654
3-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide
CID 79360832
N-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66481893
3-(4-hydroxybut-1-ynyl)-N-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 83016096
3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 66482239
3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66482048
N,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66484764
3-(4-hydroxybut-1-ynyl)-N-(2H-tetrazol-5-ylmethyl)pyridine-4-carboxamide
CID 66483448
3-(4-hydroxybut-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 66484785

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide?
The IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide (CID 66483043) is 3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide is CS(=O)(=O)CCNC(=O)c1ccncc1C#CCCO.
What is the InChIKey of 3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide?
The InChIKey is LJPOZHZIYTXJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-20(18,19)9-7-15-13(17)12-5-6-14-10-11(12)4-2-3-8-16/h5-6,10,16H,3,7-9H2,1H3,(H,15,17).
What are the key properties of 3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide?
3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide has a molecular weight of 296.35 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 66483043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).