2-[(3-pentan-3-yl-1H-indol-4-yl)oxy]-N-pyridin-3-ylacetamide

C20H23N3O2 — CID 71737550

IUPAC2-[(3-pentan-3-yl-1H-indol-4-yl)oxy]-N-pyridin-3-ylacetamide
SMILESCCC(CC)c1c[nH]c2cccc(OCC(=O)Nc3cccnc3)c12
InChIInChI=1S/C20H23N3O2/c1-3-14(4-2)16-12-22-17-8-5-9-18(20(16)17)25-13-19(24)23-15-7-6-10-21-11-15/h5-12,14,22H,3-4,13H2,1-2H3,(H,23,24)
InChIKeyZXJSKFBFDSVEJY-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.48
Rot. Bonds7

About 2-[(3-pentan-3-yl-1H-indol-4-yl)oxy]-N-pyridin-3-ylacetamide

2-[(3-pentan-3-yl-1H-indol-4-yl)oxy]-N-pyridin-3-ylacetamide (PubChem CID 71737550) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[(3-pentan-3-yl-1H-indol-4-yl)oxy]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[(3-pentan-3-yl-1H-indol-4-yl)oxy]-N-pyridin-3-ylacetamide
PubChem CID71737550
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-[(3-pentan-3-yl-1H-indol-4-yl)oxy]-N-pyridin-3-ylacetamide
SMILESCCC(CC)c1c[nH]c2cccc(OCC(=O)Nc3cccnc3)c12
InChIInChI=1S/C20H23N3O2/c1-3-14(4-2)16-12-22-17-8-5-9-18(20(16)17)25-13-19(24)23-15-7-6-10-21-11-15/h5-12,14,22H,3-4,13H2,1-2H3,(H,23,24)
InChIKeyZXJSKFBFDSVEJY-UHFFFAOYSA-N
XLogP4.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethylphenoxy)-N-pyridin-3-ylacetamide
CID 26592501
2-[(3-butan-2-yl-1H-indol-4-yl)oxy]acetic acid
CID 71737103
N-pyridin-3-yl-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 75414453
2-(2-carbamothioylphenoxy)-N-pyridin-3-ylacetamide
CID 24691201
2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide
CID 75422770
N-[4-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925024
3-methyl-N-pyridin-3-ylpentanamide
CID 142960765
2-[(2-methylpropan-2-yl)oxy]-N-pyridin-3-ylacetamide
CID 112604829
2-(2-ethoxyphenoxy)-N-pyridin-4-ylacetamide
CID 78802593
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
2-(3-formylphenoxy)-N-pyridin-3-ylacetamide
CID 86685448
N-pyridin-3-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640912

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pentan-3-yl-1H-indol-4-yl)oxy]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[(3-pentan-3-yl-1H-indol-4-yl)oxy]-N-pyridin-3-ylacetamide (CID 71737550) is 2-[(3-pentan-3-yl-1H-indol-4-yl)oxy]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[(3-pentan-3-yl-1H-indol-4-yl)oxy]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[(3-pentan-3-yl-1H-indol-4-yl)oxy]-N-pyridin-3-ylacetamide is CCC(CC)c1c[nH]c2cccc(OCC(=O)Nc3cccnc3)c12.
What is the InChIKey of 2-[(3-pentan-3-yl-1H-indol-4-yl)oxy]-N-pyridin-3-ylacetamide?
The InChIKey is ZXJSKFBFDSVEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-14(4-2)16-12-22-17-8-5-9-18(20(16)17)25-13-19(24)23-15-7-6-10-21-11-15/h5-12,14,22H,3-4,13H2,1-2H3,(H,23,24).
What are the key properties of 2-[(3-pentan-3-yl-1H-indol-4-yl)oxy]-N-pyridin-3-ylacetamide?
2-[(3-pentan-3-yl-1H-indol-4-yl)oxy]-N-pyridin-3-ylacetamide has a molecular weight of 337.42 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pentan-3-yl-1H-indol-4-yl)oxy]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 71737550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).