N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-pyridin-3-yloxamide

C17H15N3O3S — CID 100726595

IUPACN-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-pyridin-3-yloxamide
SMILESO=C(NC[C@H](O)c1csc2ccccc12)C(=O)Nc1cccnc1
InChIInChI=1S/C17H15N3O3S/c21-14(13-10-24-15-6-2-1-5-12(13)15)9-19-16(22)17(23)20-11-4-3-7-18-8-11/h1-8,10,14,21H,9H2,(H,19,22)(H,20,23)/t14-/m0/s1
InChIKeyGDZMQAKJVRXSST-AWEZNQCLSA-N
MW341.39 g/mol
LogP2.08
Rot. Bonds4

About N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-pyridin-3-yloxamide

N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-pyridin-3-yloxamide (PubChem CID 100726595) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-pyridin-3-yloxamide.

Molecular Properties

Compound NameN-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-pyridin-3-yloxamide
PubChem CID100726595
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-pyridin-3-yloxamide
SMILESO=C(NC[C@H](O)c1csc2ccccc12)C(=O)Nc1cccnc1
InChIInChI=1S/C17H15N3O3S/c21-14(13-10-24-15-6-2-1-5-12(13)15)9-19-16(22)17(23)20-11-4-3-7-18-8-11/h1-8,10,14,21H,9H2,(H,19,22)(H,20,23)/t14-/m0/s1
InChIKeyGDZMQAKJVRXSST-AWEZNQCLSA-N
XLogP2.08
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Pyridinecarboxamide, N-(2-(2-benzo(b)thien-5-yl-2-hydroxyethoxy)ethyl)-, monohydrochloride
CID 3072523
4-[hydroxy-(3-methyl-1-benzothiophen-2-yl)methyl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 45268184
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-6-(trifluoromethyl)nicotinamide
CID 91630873
N1-(2-hydroxy-2-(thiophen-2-yl)ethyl)-N2-(pyridin-3-yl)oxalamide
CID 71782450
N1-(2-hydroxy-2-(1-methyl-1H-indol-3-yl)ethyl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 71788706
N1-(2-hydroxy-2-(1-methyl-1H-indol-3-yl)ethyl)-N2-(2-(methylthio)phenyl)oxalamide
CID 71788713
N1-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)-N2-(pyridin-3-yl)oxalamide
CID 71803884
N1-((5-(hydroxy(thiophen-2-yl)methyl)thiophen-2-yl)methyl)-N2-(pyridin-3-yl)oxalamide
CID 71804680
N1-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-N2-(pyridin-3-yl)oxalamide
CID 86264037
2-[(S)-1-hydroxy-3-(N-3-pyridylcarbamoylcarbonylamino)propyl]thiophene
CID 96350554
(R)-1-(1-benzothiophen-3-yl)-2-(3-pyridylsulfonylamino)-1-ethanol
CID 100725682
N-[2-[2-(1-benzothiophen-5-yl)-2-hydroxyethoxy]ethyl]pyridine-2-carboxamide
CID 3072524

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-pyridin-3-yloxamide?
The IUPAC name of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-pyridin-3-yloxamide (CID 100726595) is N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-pyridin-3-yloxamide.
What is the SMILES notation for N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-pyridin-3-yloxamide?
The canonical SMILES for N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-pyridin-3-yloxamide is O=C(NC[C@H](O)c1csc2ccccc12)C(=O)Nc1cccnc1.
What is the InChIKey of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-pyridin-3-yloxamide?
The InChIKey is GDZMQAKJVRXSST-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15N3O3S/c21-14(13-10-24-15-6-2-1-5-12(13)15)9-19-16(22)17(23)20-11-4-3-7-18-8-11/h1-8,10,14,21H,9H2,(H,19,22)(H,20,23)/t14-/m0/s1.
What are the key properties of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-pyridin-3-yloxamide?
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-pyridin-3-yloxamide has a molecular weight of 341.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-pyridin-3-yloxamide is sourced from PubChem (CID 100726595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).