2-[4-(1H-indol-2-yl)phenoxy]-N-pyridin-4-ylacetamide

C21H17N3O2 — CID 56970786

IUPAC2-[4-(1H-indol-2-yl)phenoxy]-N-pyridin-4-ylacetamide
SMILESO=C(COc1ccc(-c2cc3ccccc3[nH]2)cc1)Nc1ccncc1
InChIInChI=1S/C21H17N3O2/c25-21(23-17-9-11-22-12-10-17)14-26-18-7-5-15(6-8-18)20-13-16-3-1-2-4-19(16)24-20/h1-13,24H,14H2,(H,22,23,25)
InChIKeyMAHGJNVXUZHBEQ-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.25
Rot. Bonds5

About 2-[4-(1H-indol-2-yl)phenoxy]-N-pyridin-4-ylacetamide

2-[4-(1H-indol-2-yl)phenoxy]-N-pyridin-4-ylacetamide (PubChem CID 56970786) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[4-(1H-indol-2-yl)phenoxy]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[4-(1H-indol-2-yl)phenoxy]-N-pyridin-4-ylacetamide
PubChem CID56970786
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name2-[4-(1H-indol-2-yl)phenoxy]-N-pyridin-4-ylacetamide
SMILESO=C(COc1ccc(-c2cc3ccccc3[nH]2)cc1)Nc1ccncc1
InChIInChI=1S/C21H17N3O2/c25-21(23-17-9-11-22-12-10-17)14-26-18-7-5-15(6-8-18)20-13-16-3-1-2-4-19(16)24-20/h1-13,24H,14H2,(H,22,23,25)
InChIKeyMAHGJNVXUZHBEQ-UHFFFAOYSA-N
XLogP4.25
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-2-yl)phenoxy]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[4-(1H-indol-2-yl)phenoxy]-N-pyridin-4-ylacetamide (CID 56970786) is 2-[4-(1H-indol-2-yl)phenoxy]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[4-(1H-indol-2-yl)phenoxy]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[4-(1H-indol-2-yl)phenoxy]-N-pyridin-4-ylacetamide is O=C(COc1ccc(-c2cc3ccccc3[nH]2)cc1)Nc1ccncc1.
What is the InChIKey of 2-[4-(1H-indol-2-yl)phenoxy]-N-pyridin-4-ylacetamide?
The InChIKey is MAHGJNVXUZHBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-21(23-17-9-11-22-12-10-17)14-26-18-7-5-15(6-8-18)20-13-16-3-1-2-4-19(16)24-20/h1-13,24H,14H2,(H,22,23,25).
What are the key properties of 2-[4-(1H-indol-2-yl)phenoxy]-N-pyridin-4-ylacetamide?
2-[4-(1H-indol-2-yl)phenoxy]-N-pyridin-4-ylacetamide has a molecular weight of 343.39 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-2-yl)phenoxy]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 56970786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).