N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-pyridin-2-yloxyphenoxy)acetamide

C20H20N4O3 — CID 166416421

IUPACN-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-pyridin-2-yloxyphenoxy)acetamide
SMILESC#CCCC1(CCNC(=O)COc2cccc(Oc3ccccn3)c2)N=N1
InChIInChI=1S/C20H20N4O3/c1-2-3-10-20(23-24-20)11-13-21-18(25)15-26-16-7-6-8-17(14-16)27-19-9-4-5-12-22-19/h1,4-9,12,14H,3,10-11,13,15H2,(H,21,25)
InChIKeyNGQRVVZQLHUBBN-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.33
Rot. Bonds10

About N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-pyridin-2-yloxyphenoxy)acetamide

N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-pyridin-2-yloxyphenoxy)acetamide (PubChem CID 166416421) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-pyridin-2-yloxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-pyridin-2-yloxyphenoxy)acetamide
PubChem CID166416421
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-pyridin-2-yloxyphenoxy)acetamide
SMILESC#CCCC1(CCNC(=O)COc2cccc(Oc3ccccn3)c2)N=N1
InChIInChI=1S/C20H20N4O3/c1-2-3-10-20(23-24-20)11-13-21-18(25)15-26-16-7-6-8-17(14-16)27-19-9-4-5-12-22-19/h1,4-9,12,14H,3,10-11,13,15H2,(H,21,25)
InChIKeyNGQRVVZQLHUBBN-UHFFFAOYSA-N
XLogP3.33
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-2-(3-pyridin-2-yloxyphenoxy)acetamide
CID 25345413
2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596103
N-propyl-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36805335
N-hex-5-ynyl-2-phenoxyacetamide
CID 103758132
3-(3-but-3-ynyldiazirin-3-yl)-N-[[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]propanamide
CID 166417741
N-but-3-ynyl-2-pyridin-3-yloxyacetamide
CID 90537853
2-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596122
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-5-(3-methoxyphenyl)pyrimidine-2-carboxamide
CID 166416909
3-[[2-(3-pyridin-2-yloxyphenoxy)acetyl]amino]benzenesulfonyl fluoride
CID 166404746
2-(3-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[(2-pyridin-2-yloxyacetyl)amino]butyl]acetamide
CID 155303020
(2S)-2-amino-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,3-diphenylpropanamide
CID 170459500
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 166419183

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-pyridin-2-yloxyphenoxy)acetamide?
The IUPAC name of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-pyridin-2-yloxyphenoxy)acetamide (CID 166416421) is N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-pyridin-2-yloxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-pyridin-2-yloxyphenoxy)acetamide?
The canonical SMILES for N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-pyridin-2-yloxyphenoxy)acetamide is C#CCCC1(CCNC(=O)COc2cccc(Oc3ccccn3)c2)N=N1.
What is the InChIKey of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-pyridin-2-yloxyphenoxy)acetamide?
The InChIKey is NGQRVVZQLHUBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-2-3-10-20(23-24-20)11-13-21-18(25)15-26-16-7-6-8-17(14-16)27-19-9-4-5-12-22-19/h1,4-9,12,14H,3,10-11,13,15H2,(H,21,25).
What are the key properties of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-pyridin-2-yloxyphenoxy)acetamide?
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-pyridin-2-yloxyphenoxy)acetamide has a molecular weight of 364.41 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-pyridin-2-yloxyphenoxy)acetamide is sourced from PubChem (CID 166416421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).