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

C13H16N2O4S — CID 107521470

IUPAC3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1ncccc1C#CCCO
InChIInChI=1S/C13H16N2O4S/c1-20(18,19)10-8-15-13(17)12-11(5-2-3-9-16)6-4-7-14-12/h4,6-7,16H,3,8-10H2,1H3,(H,15,17)
InChIKeyPRIAVMPWADXUJL-UHFFFAOYSA-N
MW296.35 g/mol
LogP-0.41
Rot. Bonds5

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

3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-2-carboxamide (PubChem CID 107521470) 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-2-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
PubChem CID107521470
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1ncccc1C#CCCO
InChIInChI=1S/C13H16N2O4S/c1-20(18,19)10-8-15-13(17)12-11(5-2-3-9-16)6-4-7-14-12/h4,6-7,16H,3,8-10H2,1H3,(H,15,17)
InChIKeyPRIAVMPWADXUJL-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'}

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Related Compounds

3-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 107522845
3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 107522402
N-[3-(ethylamino)-3-oxopropyl]-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107523109
3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 66483043
N-(2-butoxyethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107522126
N-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107520618
3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 104741450
3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 107521173
3-(4-hydroxybut-1-ynyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 107522205
N-(furan-3-ylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107523249
3-(4-hydroxybut-1-ynyl)-N-(thian-4-ylmethyl)pyridine-2-carboxamide
CID 107523183
3-(3-aminoprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-2-carboxamide
CID 106342128

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-2-carboxamide?
The IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-2-carboxamide (CID 107521470) is 3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-2-carboxamide is CS(=O)(=O)CCNC(=O)c1ncccc1C#CCCO.
What is the InChIKey of 3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-2-carboxamide?
The InChIKey is PRIAVMPWADXUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-20(18,19)10-8-15-13(17)12-11(5-2-3-9-16)6-4-7-14-12/h4,6-7,16H,3,8-10H2,1H3,(H,15,17).
What are the key properties of 3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-2-carboxamide?
3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-2-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-2-carboxamide is sourced from PubChem (CID 107521470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).