N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-pyridin-3-yloxyacetamide

C18H17N3O3 — CID 90551479

IUPACN-[3-(4-acetamidophenyl)prop-2-ynyl]-2-pyridin-3-yloxyacetamide
SMILESCC(=O)Nc1ccc(C#CCNC(=O)COc2cccnc2)cc1
InChIInChI=1S/C18H17N3O3/c1-14(22)21-16-8-6-15(7-9-16)4-2-11-20-18(23)13-24-17-5-3-10-19-12-17/h3,5-10,12H,11,13H2,1H3,(H,20,23)(H,21,22)
InChIKeyMXTKGFKMFNKEEO-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.59
Rot. Bonds5

About N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-pyridin-3-yloxyacetamide

N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-pyridin-3-yloxyacetamide (PubChem CID 90551479) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-pyridin-3-yloxyacetamide.

Molecular Properties

Compound NameN-[3-(4-acetamidophenyl)prop-2-ynyl]-2-pyridin-3-yloxyacetamide
PubChem CID90551479
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[3-(4-acetamidophenyl)prop-2-ynyl]-2-pyridin-3-yloxyacetamide
SMILESCC(=O)Nc1ccc(C#CCNC(=O)COc2cccnc2)cc1
InChIInChI=1S/C18H17N3O3/c1-14(22)21-16-8-6-15(7-9-16)4-2-11-20-18(23)13-24-17-5-3-10-19-12-17/h3,5-10,12H,11,13H2,1H3,(H,20,23)(H,21,22)
InChIKeyMXTKGFKMFNKEEO-UHFFFAOYSA-N
XLogP1.59
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.59
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

N-(4-acetylphenyl)-2-pyridin-3-yloxyacetamide
CID 110487947
N-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide
CID 90551520
N-pyridin-4-yl-2-pyridin-3-yloxyacetamide
CID 110487864
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide
CID 90549800
N,N-dimethyl-4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide
CID 90550076
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
N-but-3-ynyl-2-pyridin-3-yloxyacetamide
CID 90537853
ethyl 2-[(2-pyridin-3-yloxyacetyl)amino]acetate
CID 110487847
N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 90551468
N-[3-(4-acetamidophenyl)prop-2-ynyl]quinoxaline-2-carboxamide
CID 90551692
N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(benzimidazol-1-yl)acetamide
CID 90551472

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-pyridin-3-yloxyacetamide?
The IUPAC name of N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-pyridin-3-yloxyacetamide (CID 90551479) is N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-pyridin-3-yloxyacetamide.
What is the SMILES notation for N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-pyridin-3-yloxyacetamide?
The canonical SMILES for N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-pyridin-3-yloxyacetamide is CC(=O)Nc1ccc(C#CCNC(=O)COc2cccnc2)cc1.
What is the InChIKey of N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-pyridin-3-yloxyacetamide?
The InChIKey is MXTKGFKMFNKEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-14(22)21-16-8-6-15(7-9-16)4-2-11-20-18(23)13-24-17-5-3-10-19-12-17/h3,5-10,12H,11,13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-pyridin-3-yloxyacetamide?
N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-pyridin-3-yloxyacetamide has a molecular weight of 323.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-pyridin-3-yloxyacetamide is sourced from PubChem (CID 90551479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).