2-[(5-cyano-2-pyridinyl)oxy]-N-(2,2-dimethylpropyl)acetamide;ethane

C15H23N3O2 — CID 143422628

IUPAC2-[(5-cyano-2-pyridinyl)oxy]-N-(2,2-dimethylpropyl)acetamide;ethane
SMILESCC.CC(C)(C)CNC(=O)COc1ccc(C#N)cn1
InChIInChI=1S/C13H17N3O2.C2H6/c1-13(2,3)9-16-11(17)8-18-12-5-4-10(6-14)7-15-12;1-2/h4-5,7H,8-9H2,1-3H3,(H,16,17);1-2H3
InChIKeyUMGAXWMUODNGRT-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.52
Rot. Bonds4

About 2-[(5-cyano-2-pyridinyl)oxy]-N-(2,2-dimethylpropyl)acetamide;ethane

2-[(5-cyano-2-pyridinyl)oxy]-N-(2,2-dimethylpropyl)acetamide;ethane (PubChem CID 143422628) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(5-cyano-2-pyridinyl)oxy]-N-(2,2-dimethylpropyl)acetamide;ethane.

Molecular Properties

Compound Name2-[(5-cyano-2-pyridinyl)oxy]-N-(2,2-dimethylpropyl)acetamide;ethane
PubChem CID143422628
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[(5-cyano-2-pyridinyl)oxy]-N-(2,2-dimethylpropyl)acetamide;ethane
SMILESCC.CC(C)(C)CNC(=O)COc1ccc(C#N)cn1
InChIInChI=1S/C13H17N3O2.C2H6/c1-13(2,3)9-16-11(17)8-18-12-5-4-10(6-14)7-15-12;1-2/h4-5,7H,8-9H2,1-3H3,(H,16,17);1-2H3
InChIKeyUMGAXWMUODNGRT-UHFFFAOYSA-N
XLogP2.52
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-cyanophenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81369712
2-(4-cyanophenoxy)-N-(2-methyl-2-methylsulfanylpropyl)acetamide
CID 115665013
2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide
CID 61168038
6-[3-(dimethylamino)-2,2-dimethylpropoxy]pyridine-3-carbonitrile
CID 157021835
2-(4-cyanophenoxy)-N-(2-ethyl-2-methylsulfanylbutyl)acetamide
CID 103709347
6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
CID 62349619
methane;6-methoxypyridine-3-carbaldehyde;6-methoxypyridine-3-carbonitrile
CID 162105536
(5-cyano-2-pyridinyl) dihydrogen phosphate
CID 172722291
3-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249131
2-(4-cyano-2-methoxyphenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]acetamide
CID 55783641
4-cyano-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 115116842
tert-butyl N-[1-[(5-cyano-2-pyridinyl)amino]-2-methylpropan-2-yl]carbamate
CID 71985351

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-pyridinyl)oxy]-N-(2,2-dimethylpropyl)acetamide;ethane?
The IUPAC name of 2-[(5-cyano-2-pyridinyl)oxy]-N-(2,2-dimethylpropyl)acetamide;ethane (CID 143422628) is 2-[(5-cyano-2-pyridinyl)oxy]-N-(2,2-dimethylpropyl)acetamide;ethane.
What is the SMILES notation for 2-[(5-cyano-2-pyridinyl)oxy]-N-(2,2-dimethylpropyl)acetamide;ethane?
The canonical SMILES for 2-[(5-cyano-2-pyridinyl)oxy]-N-(2,2-dimethylpropyl)acetamide;ethane is CC.CC(C)(C)CNC(=O)COc1ccc(C#N)cn1.
What is the InChIKey of 2-[(5-cyano-2-pyridinyl)oxy]-N-(2,2-dimethylpropyl)acetamide;ethane?
The InChIKey is UMGAXWMUODNGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2.C2H6/c1-13(2,3)9-16-11(17)8-18-12-5-4-10(6-14)7-15-12;1-2/h4-5,7H,8-9H2,1-3H3,(H,16,17);1-2H3.
What are the key properties of 2-[(5-cyano-2-pyridinyl)oxy]-N-(2,2-dimethylpropyl)acetamide;ethane?
2-[(5-cyano-2-pyridinyl)oxy]-N-(2,2-dimethylpropyl)acetamide;ethane has a molecular weight of 277.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-pyridinyl)oxy]-N-(2,2-dimethylpropyl)acetamide;ethane is sourced from PubChem (CID 143422628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).