2-(2-cyanophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)acetamide

C16H15N3O2 — CID 43397563

IUPAC2-(2-cyanophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(Cc1cccnc1)C(=O)COc1ccccc1C#N
InChIInChI=1S/C16H15N3O2/c1-19(11-13-5-4-8-18-10-13)16(20)12-21-15-7-3-2-6-14(15)9-17/h2-8,10H,11-12H2,1H3
InChIKeyYWSCSDXNCQTFKZ-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.99
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)acetamide

2-(2-cyanophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 43397563) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
PubChem CID43397563
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-(2-cyanophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(Cc1cccnc1)C(=O)COc1ccccc1C#N
InChIInChI=1S/C16H15N3O2/c1-19(11-13-5-4-8-18-10-13)16(20)12-21-15-7-3-2-6-14(15)9-17/h2-8,10H,11-12H2,1H3
InChIKeyYWSCSDXNCQTFKZ-UHFFFAOYSA-N
XLogP1.99
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 43563276
2-(2-cyanophenoxy)-N-hydroxy-N-methylacetamide
CID 20669597
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide
CID 43374251
2-(2-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
CID 9227961
2-(2-cyanophenoxy)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 7718911
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555
2-[4-(4-chlorobenzoyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 87002083
5-[(2-cyanophenoxy)methyl]-N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 51123765
2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylacetamide
CID 27781034
2-(2-bromophenoxy)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 84594812

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)acetamide (CID 43397563) is 2-(2-cyanophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)acetamide is CN(Cc1cccnc1)C(=O)COc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is YWSCSDXNCQTFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-19(11-13-5-4-8-18-10-13)16(20)12-21-15-7-3-2-6-14(15)9-17/h2-8,10H,11-12H2,1H3.
What are the key properties of 2-(2-cyanophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
2-(2-cyanophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 281.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 43397563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).