2-(3-ethoxycyclobutyl)-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]acetamide

C16H20N2O3 — CID 103165202

IUPAC2-(3-ethoxycyclobutyl)-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]acetamide
SMILESCCOC1CC(CC(=O)Nc2cccc(C#CCO)n2)C1
InChIInChI=1S/C16H20N2O3/c1-2-21-14-9-12(10-14)11-16(20)18-15-7-3-5-13(17-15)6-4-8-19/h3,5,7,12,14,19H,2,8-11H2,1H3,(H,17,18,20)
InChIKeyPCXHJQKDTPOGPS-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.57
Rot. Bonds5

About 2-(3-ethoxycyclobutyl)-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]acetamide

2-(3-ethoxycyclobutyl)-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]acetamide (PubChem CID 103165202) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]acetamide
PubChem CID103165202
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-(3-ethoxycyclobutyl)-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]acetamide
SMILESCCOC1CC(CC(=O)Nc2cccc(C#CCO)n2)C1
InChIInChI=1S/C16H20N2O3/c1-2-21-14-9-12(10-14)11-16(20)18-15-7-3-5-13(17-15)6-4-8-19/h3,5,7,12,14,19H,2,8-11H2,1H3,(H,17,18,20)
InChIKeyPCXHJQKDTPOGPS-UHFFFAOYSA-N
XLogP1.57
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-(3-ethoxycyclobutyl)-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]acetamide (CID 103165202) is 2-(3-ethoxycyclobutyl)-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]acetamide is CCOC1CC(CC(=O)Nc2cccc(C#CCO)n2)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]acetamide?
The InChIKey is PCXHJQKDTPOGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-21-14-9-12(10-14)11-16(20)18-15-7-3-5-13(17-15)6-4-8-19/h3,5,7,12,14,19H,2,8-11H2,1H3,(H,17,18,20).
What are the key properties of 2-(3-ethoxycyclobutyl)-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]acetamide?
2-(3-ethoxycyclobutyl)-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 103165202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).