N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide

C13H13N3O3S — CID 71782450

IUPACN-(2-hydroxy-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide
SMILESO=C(NCC(O)c1cccs1)C(=O)Nc1cccnc1
InChIInChI=1S/C13H13N3O3S/c17-10(11-4-2-6-20-11)8-15-12(18)13(19)16-9-3-1-5-14-7-9/h1-7,10,17H,8H2,(H,15,18)(H,16,19)
InChIKeyPDSANWVGQZZBRG-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.93
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide

N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide (PubChem CID 71782450) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide
PubChem CID71782450
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide
SMILESO=C(NCC(O)c1cccs1)C(=O)Nc1cccnc1
InChIInChI=1S/C13H13N3O3S/c17-10(11-4-2-6-20-11)8-15-12(18)13(19)16-9-3-1-5-14-7-9/h1-7,10,17H,8H2,(H,15,18)(H,16,19)
InChIKeyPDSANWVGQZZBRG-UHFFFAOYSA-N
XLogP0.93
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide (CID 71782450) is N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide is O=C(NCC(O)c1cccs1)C(=O)Nc1cccnc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide?
The InChIKey is PDSANWVGQZZBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c17-10(11-4-2-6-20-11)8-15-12(18)13(19)16-9-3-1-5-14-7-9/h1-7,10,17H,8H2,(H,15,18)(H,16,19).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide?
N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide has a molecular weight of 291.33 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide is sourced from PubChem (CID 71782450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).