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

C20H16N4O2 — CID 56970787

IUPAC2-[4-(1H-indol-2-yl)phenoxy]-N-pyrazin-2-ylacetamide
SMILESO=C(COc1ccc(-c2cc3ccccc3[nH]2)cc1)Nc1cnccn1
InChIInChI=1S/C20H16N4O2/c25-20(24-19-12-21-9-10-22-19)13-26-16-7-5-14(6-8-16)18-11-15-3-1-2-4-17(15)23-18/h1-12,23H,13H2,(H,22,24,25)
InChIKeyHSXAJVLYBHRKFA-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.64
Rot. Bonds5

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

2-[4-(1H-indol-2-yl)phenoxy]-N-pyrazin-2-ylacetamide (PubChem CID 56970787) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[4-(1H-indol-2-yl)phenoxy]-N-pyrazin-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(1H-indol-2-yl)phenoxy]-N-pyrazin-2-ylacetamide
PubChem CID56970787
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name2-[4-(1H-indol-2-yl)phenoxy]-N-pyrazin-2-ylacetamide
SMILESO=C(COc1ccc(-c2cc3ccccc3[nH]2)cc1)Nc1cnccn1
InChIInChI=1S/C20H16N4O2/c25-20(24-19-12-21-9-10-22-19)13-26-16-7-5-14(6-8-16)18-11-15-3-1-2-4-17(15)23-18/h1-12,23H,13H2,(H,22,24,25)
InChIKeyHSXAJVLYBHRKFA-UHFFFAOYSA-N
XLogP3.64
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]pyridin-2-amine
CID 20744789
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-ethylpyridin-2-amine
CID 23646992
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-cyclopropylpyridin-2-amine
CID 23646993
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-benzylpyridin-2-amine
CID 23646994
3-(3-Phenoxybenzyl)amino-|A-carboline
CID 56666556
N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
CID 121411739
N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
CID 121411874
N~3~-[5-(1H-Indol-6-YL)-2-(pyridin-2-ylmethoxy)benzyl]pyridine-2,3-diamine
CID 11633167
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-phenyl-piperazin-1-yl)-ethanone
CID 9999722
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(4-aminomethyl-phenyl)-piperazin-1-yl]-ethanone
CID 10250834
2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide
CID 122192868
2-[5-(4-methoxyphenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134143802

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-2-yl)phenoxy]-N-pyrazin-2-ylacetamide?
The IUPAC name of 2-[4-(1H-indol-2-yl)phenoxy]-N-pyrazin-2-ylacetamide (CID 56970787) is 2-[4-(1H-indol-2-yl)phenoxy]-N-pyrazin-2-ylacetamide.
What is the SMILES notation for 2-[4-(1H-indol-2-yl)phenoxy]-N-pyrazin-2-ylacetamide?
The canonical SMILES for 2-[4-(1H-indol-2-yl)phenoxy]-N-pyrazin-2-ylacetamide is O=C(COc1ccc(-c2cc3ccccc3[nH]2)cc1)Nc1cnccn1.
What is the InChIKey of 2-[4-(1H-indol-2-yl)phenoxy]-N-pyrazin-2-ylacetamide?
The InChIKey is HSXAJVLYBHRKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c25-20(24-19-12-21-9-10-22-19)13-26-16-7-5-14(6-8-16)18-11-15-3-1-2-4-17(15)23-18/h1-12,23H,13H2,(H,22,24,25).
What are the key properties of 2-[4-(1H-indol-2-yl)phenoxy]-N-pyrazin-2-ylacetamide?
2-[4-(1H-indol-2-yl)phenoxy]-N-pyrazin-2-ylacetamide has a molecular weight of 344.37 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-2-yl)phenoxy]-N-pyrazin-2-ylacetamide is sourced from PubChem (CID 56970787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).