N-but-3-ynyl-2-pyridin-3-yloxyacetamide

C11H12N2O2 — CID 90537853

IUPACN-but-3-ynyl-2-pyridin-3-yloxyacetamide
SMILESC#CCCNC(=O)COc1cccnc1
InChIInChI=1S/C11H12N2O2/c1-2-3-7-13-11(14)9-15-10-5-4-6-12-8-10/h1,4-6,8H,3,7,9H2,(H,13,14)
InChIKeyCFVGPRRFCRVZKM-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.60
Rot. Bonds5

About N-but-3-ynyl-2-pyridin-3-yloxyacetamide

N-but-3-ynyl-2-pyridin-3-yloxyacetamide (PubChem CID 90537853) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-but-3-ynyl-2-pyridin-3-yloxyacetamide.

Molecular Properties

Compound NameN-but-3-ynyl-2-pyridin-3-yloxyacetamide
PubChem CID90537853
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN-but-3-ynyl-2-pyridin-3-yloxyacetamide
SMILESC#CCCNC(=O)COc1cccnc1
InChIInChI=1S/C11H12N2O2/c1-2-3-7-13-11(14)9-15-10-5-4-6-12-8-10/h1,4-6,8H,3,7,9H2,(H,13,14)
InChIKeyCFVGPRRFCRVZKM-UHFFFAOYSA-N
XLogP0.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-yloxyacetamide
CID 110487949
N-hex-5-ynyl-2-phenoxyacetamide
CID 103758132
ethyl 2-[(2-pyridin-3-yloxyacetyl)amino]acetate
CID 110487847
N-pyridin-4-yl-2-pyridin-3-yloxyacetamide
CID 110487864
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 110487955
N-pyridin-2-yl-2-pyridin-3-yloxyacetamide
CID 110487862
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyridin-3-yloxyacetamide
CID 121119286
N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-pyridin-3-yloxyacetamide
CID 90551479
3-(3-pyridin-3-yloxypropanoylamino)propanoic acid
CID 110837112
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39577143
2-pyridin-3-yloxy-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 110487966
N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-2-pyridin-3-yloxyacetamide
CID 90492056

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-2-pyridin-3-yloxyacetamide?
The IUPAC name of N-but-3-ynyl-2-pyridin-3-yloxyacetamide (CID 90537853) is N-but-3-ynyl-2-pyridin-3-yloxyacetamide.
What is the SMILES notation for N-but-3-ynyl-2-pyridin-3-yloxyacetamide?
The canonical SMILES for N-but-3-ynyl-2-pyridin-3-yloxyacetamide is C#CCCNC(=O)COc1cccnc1.
What is the InChIKey of N-but-3-ynyl-2-pyridin-3-yloxyacetamide?
The InChIKey is CFVGPRRFCRVZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-3-7-13-11(14)9-15-10-5-4-6-12-8-10/h1,4-6,8H,3,7,9H2,(H,13,14).
What are the key properties of N-but-3-ynyl-2-pyridin-3-yloxyacetamide?
N-but-3-ynyl-2-pyridin-3-yloxyacetamide has a molecular weight of 204.23 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-2-pyridin-3-yloxyacetamide is sourced from PubChem (CID 90537853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).