1-[1-methyl-3-(1-methylazetidin-3-yl)indol-6-yl]-4-phenylmethoxypyridin-2-one

C25H25N3O2 — CID 56680482

IUPAC1-[1-methyl-3-(1-methylazetidin-3-yl)indol-6-yl]-4-phenylmethoxypyridin-2-one
SMILESCN1CC(c2cn(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1
InChIInChI=1S/C25H25N3O2/c1-26-14-19(15-26)23-16-27(2)24-12-20(8-9-22(23)24)28-11-10-21(13-25(28)29)30-17-18-6-4-3-5-7-18/h3-13,16,19H,14-15,17H2,1-2H3
InChIKeyABNYRAHLXKZBKK-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.94
Rot. Bonds5

About 1-[1-methyl-3-(1-methylazetidin-3-yl)indol-6-yl]-4-phenylmethoxypyridin-2-one

1-[1-methyl-3-(1-methylazetidin-3-yl)indol-6-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 56680482) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-[1-methyl-3-(1-methylazetidin-3-yl)indol-6-yl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[1-methyl-3-(1-methylazetidin-3-yl)indol-6-yl]-4-phenylmethoxypyridin-2-one
PubChem CID56680482
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name1-[1-methyl-3-(1-methylazetidin-3-yl)indol-6-yl]-4-phenylmethoxypyridin-2-one
SMILESCN1CC(c2cn(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1
InChIInChI=1S/C25H25N3O2/c1-26-14-19(15-26)23-16-27(2)24-12-20(8-9-22(23)24)28-11-10-21(13-25(28)29)30-17-18-6-4-3-5-7-18/h3-13,16,19H,14-15,17H2,1-2H3
InChIKeyABNYRAHLXKZBKK-UHFFFAOYSA-N
XLogP3.94
TPSA39.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3-(1-methylazetidin-3-yl)indol-6-yl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[1-methyl-3-(1-methylazetidin-3-yl)indol-6-yl]-4-phenylmethoxypyridin-2-one (CID 56680482) is 1-[1-methyl-3-(1-methylazetidin-3-yl)indol-6-yl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[1-methyl-3-(1-methylazetidin-3-yl)indol-6-yl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[1-methyl-3-(1-methylazetidin-3-yl)indol-6-yl]-4-phenylmethoxypyridin-2-one is CN1CC(c2cn(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1.
What is the InChIKey of 1-[1-methyl-3-(1-methylazetidin-3-yl)indol-6-yl]-4-phenylmethoxypyridin-2-one?
The InChIKey is ABNYRAHLXKZBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-26-14-19(15-26)23-16-27(2)24-12-20(8-9-22(23)24)28-11-10-21(13-25(28)29)30-17-18-6-4-3-5-7-18/h3-13,16,19H,14-15,17H2,1-2H3.
What are the key properties of 1-[1-methyl-3-(1-methylazetidin-3-yl)indol-6-yl]-4-phenylmethoxypyridin-2-one?
1-[1-methyl-3-(1-methylazetidin-3-yl)indol-6-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 399.49 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3-(1-methylazetidin-3-yl)indol-6-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 56680482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).