N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-thiophen-2-ylacetamide

C15H19N3O3S — CID 28901499

IUPACN-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(NCCOCCO)nc1
InChIInChI=1S/C15H19N3O3S/c19-6-8-21-7-5-16-14-4-3-12(11-17-14)18-15(20)10-13-2-1-9-22-13/h1-4,9,11,19H,5-8,10H2,(H,16,17)(H,18,20)
InChIKeyGKCDZSJXOFHAAY-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.75
Rot. Bonds9

About N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-thiophen-2-ylacetamide

N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-thiophen-2-ylacetamide (PubChem CID 28901499) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-thiophen-2-ylacetamide
PubChem CID28901499
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(NCCOCCO)nc1
InChIInChI=1S/C15H19N3O3S/c19-6-8-21-7-5-16-14-4-3-12(11-17-14)18-15(20)10-13-2-1-9-22-13/h1-4,9,11,19H,5-8,10H2,(H,16,17)(H,18,20)
InChIKeyGKCDZSJXOFHAAY-UHFFFAOYSA-N
XLogP1.75
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113015222
N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 115268484
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113010856
N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 28901497
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018323
N-[6-(cyclohexylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113010070
N-(6-fluoro-3-pyridinyl)-2-thiophen-2-ylacetamide
CID 103789992
N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2,6-dimethoxybenzamide
CID 28901488
3-amino-N-[5-[2-(2-hydroxyethoxy)ethylamino]-2-pyridinyl]propanamide
CID 82034177
N-[6-(2-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018213
N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018428
2-(3-ethylphenoxy)-N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]acetamide
CID 28901568

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-thiophen-2-ylacetamide (CID 28901499) is N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(NCCOCCO)nc1.
What is the InChIKey of N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-thiophen-2-ylacetamide?
The InChIKey is GKCDZSJXOFHAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c19-6-8-21-7-5-16-14-4-3-12(11-17-14)18-15(20)10-13-2-1-9-22-13/h1-4,9,11,19H,5-8,10H2,(H,16,17)(H,18,20).
What are the key properties of N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-thiophen-2-ylacetamide?
N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-thiophen-2-ylacetamide has a molecular weight of 321.40 g/mol, XLogP of 1.75, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 28901499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).