2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide

C20H16N4O2 — CID 47051345

IUPAC2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C20H16N4O2/c25-19(12-14-13-23-18-5-2-1-4-17(14)18)24-15-6-8-16(9-7-15)26-20-21-10-3-11-22-20/h1-11,13,23H,12H2,(H,24,25)
InChIKeyMWWGJBKARNFRGV-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.93
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide

2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide (PubChem CID 47051345) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
PubChem CID47051345
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C20H16N4O2/c25-19(12-14-13-23-18-5-2-1-4-17(14)18)24-15-6-8-16(9-7-15)26-20-21-10-3-11-22-20/h1-11,13,23H,12H2,(H,24,25)
InChIKeyMWWGJBKARNFRGV-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenoxyanilino)ethyl]acetamide
CID 113000397
N-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide
CID 30874167
2-(1H-indol-3-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide
CID 52649446
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
N-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide
CID 7998970
2-(1H-indol-3-yl)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 71799748
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate
CID 2383248
2-(1H-indol-3-yl)-N-[4-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982718
2-(1H-indol-3-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122315814
N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide
CID 170716792
N-(2-chloro-3-pyridinyl)-2-(1H-indol-3-yl)acetamide
CID 10869874
2-(1H-indol-3-yl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]acetamide
CID 112990361

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide (CID 47051345) is 2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide is O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Oc2ncccn2)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide?
The InChIKey is MWWGJBKARNFRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c25-19(12-14-13-23-18-5-2-1-4-17(14)18)24-15-6-8-16(9-7-15)26-20-21-10-3-11-22-20/h1-11,13,23H,12H2,(H,24,25).
What are the key properties of 2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide?
2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide has a molecular weight of 344.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide is sourced from PubChem (CID 47051345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).