N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide

C16H15N5O2S — CID 122265357

IUPACN-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide
SMILESO=C(NCC(c1cccs1)n1cccn1)C(=O)Nc1cccnc1
InChIInChI=1S/C16H15N5O2S/c22-15(16(23)20-12-4-1-6-17-10-12)18-11-13(14-5-2-9-24-14)21-8-3-7-19-21/h1-10,13H,11H2,(H,18,22)(H,20,23)
InChIKeyMVHRNXYKDMHOMQ-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.68
Rot. Bonds5

About N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide

N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide (PubChem CID 122265357) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide
PubChem CID122265357
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC NameN-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide
SMILESO=C(NCC(c1cccs1)n1cccn1)C(=O)Nc1cccnc1
InChIInChI=1S/C16H15N5O2S/c22-15(16(23)20-12-4-1-6-17-10-12)18-11-13(14-5-2-9-24-14)21-8-3-7-19-21/h1-10,13H,11H2,(H,18,22)(H,20,23)
InChIKeyMVHRNXYKDMHOMQ-UHFFFAOYSA-N
XLogP1.68
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide
CID 122265353
methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate
CID 122265033
1-(4-fluorophenyl)-3-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)urea
CID 122265442
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 122265035
4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265056
2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265077
2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265055
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide
CID 122265113
2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide
CID 119102036
4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265088
2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 119102022
2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265068

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide?
The IUPAC name of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide (CID 122265357) is N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide.
What is the SMILES notation for N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide?
The canonical SMILES for N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide is O=C(NCC(c1cccs1)n1cccn1)C(=O)Nc1cccnc1.
What is the InChIKey of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide?
The InChIKey is MVHRNXYKDMHOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c22-15(16(23)20-12-4-1-6-17-10-12)18-11-13(14-5-2-9-24-14)21-8-3-7-19-21/h1-10,13H,11H2,(H,18,22)(H,20,23).
What are the key properties of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide?
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide has a molecular weight of 341.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide is sourced from PubChem (CID 122265357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).