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

C15H20N2O3 — CID 102821220

IUPAC4-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide
SMILESCCOCCCC(=O)Nc1cc(C#CCCO)ccn1
InChIInChI=1S/C15H20N2O3/c1-2-20-11-5-7-15(19)17-14-12-13(8-9-16-14)6-3-4-10-18/h8-9,12,18H,2,4-5,7,10-11H2,1H3,(H,16,17,19)
InChIKeyYRNYJUVFFLKZQA-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.57
Rot. Bonds7

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

4-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide (PubChem CID 102821220) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide
PubChem CID102821220
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide
SMILESCCOCCCC(=O)Nc1cc(C#CCCO)ccn1
InChIInChI=1S/C15H20N2O3/c1-2-20-11-5-7-15(19)17-14-12-13(8-9-16-14)6-3-4-10-18/h8-9,12,18H,2,4-5,7,10-11H2,1H3,(H,16,17,19)
InChIKeyYRNYJUVFFLKZQA-UHFFFAOYSA-N
XLogP1.57
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide
CID 102821194
4,4,4-trifluoro-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide
CID 102821162
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methylsulfanylacetamide
CID 102821240
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide
CID 102821245
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide
CID 102821254
1-ethyl-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentane-1-carboxamide
CID 102821143
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide
CID 102821142
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]ethanesulfonamide
CID 102821679
4-ethoxy-N-pyrazin-2-ylbutanamide
CID 86794503
N-(4-chloro-2-pyridinyl)-3-ethoxypropanamide
CID 115626770
N-(3-ethoxypropyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959692
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 102821209

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide?
The IUPAC name of 4-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide (CID 102821220) is 4-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide.
What is the SMILES notation for 4-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide?
The canonical SMILES for 4-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide is CCOCCCC(=O)Nc1cc(C#CCCO)ccn1.
What is the InChIKey of 4-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide?
The InChIKey is YRNYJUVFFLKZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-20-11-5-7-15(19)17-14-12-13(8-9-16-14)6-3-4-10-18/h8-9,12,18H,2,4-5,7,10-11H2,1H3,(H,16,17,19).
What are the key properties of 4-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide?
4-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide has a molecular weight of 276.34 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide is sourced from PubChem (CID 102821220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).