2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide

C13H16N2O3 — CID 102821194

IUPAC2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide
SMILESCCOCC(=O)Nc1cc(C#CCCO)ccn1
InChIInChI=1S/C13H16N2O3/c1-2-18-10-13(17)15-12-9-11(6-7-14-12)5-3-4-8-16/h6-7,9,16H,2,4,8,10H2,1H3,(H,14,15,17)
InChIKeyMIXBKYTWKJTLCL-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.79
Rot. Bonds5

About 2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide

2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide (PubChem CID 102821194) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide
PubChem CID102821194
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide
SMILESCCOCC(=O)Nc1cc(C#CCCO)ccn1
InChIInChI=1S/C13H16N2O3/c1-2-18-10-13(17)15-12-9-11(6-7-14-12)5-3-4-8-16/h6-7,9,16H,2,4,8,10H2,1H3,(H,14,15,17)
InChIKeyMIXBKYTWKJTLCL-UHFFFAOYSA-N
XLogP0.79
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide
CID 102821220
2-ethoxy-N-[3-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60803360
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methylsulfanylacetamide
CID 102821240
4,4,4-trifluoro-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide
CID 102821162
1-ethyl-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentane-1-carboxamide
CID 102821143
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]ethanesulfonamide
CID 102821679
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide
CID 102821245
2-ethoxy-N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]acetamide
CID 60803704
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide
CID 102821142
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 102821209
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-4,5-dimethylthiophene-2-carboxamide
CID 102821106
4-[2-(methylsulfamoylamino)-4-pyridinyl]but-3-yn-1-ol
CID 102821691

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide (CID 102821194) is 2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide is CCOCC(=O)Nc1cc(C#CCCO)ccn1.
What is the InChIKey of 2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide?
The InChIKey is MIXBKYTWKJTLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-18-10-13(17)15-12-9-11(6-7-14-12)5-3-4-8-16/h6-7,9,16H,2,4,8,10H2,1H3,(H,14,15,17).
What are the key properties of 2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide?
2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide has a molecular weight of 248.28 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 102821194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).