N-(1H-indol-5-yl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide

C20H21N3O5 — CID 86207746

IUPACN-(1H-indol-5-yl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
SMILESO=C(COc1coc(CN2CCOCC2)cc1=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C20H21N3O5/c24-18-10-16(11-23-5-7-26-8-6-23)27-12-19(18)28-13-20(25)22-15-1-2-17-14(9-15)3-4-21-17/h1-4,9-10,12,21H,5-8,11,13H2,(H,22,25)
InChIKeyXTDQBIJWJZCHOL-UHFFFAOYSA-N
MW383.40 g/mol
LogP1.97
Rot. Bonds6

About N-(1H-indol-5-yl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide

N-(1H-indol-5-yl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide (PubChem CID 86207746) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
PubChem CID86207746
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-(1H-indol-5-yl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
SMILESO=C(COc1coc(CN2CCOCC2)cc1=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C20H21N3O5/c24-18-10-16(11-23-5-7-26-8-6-23)27-12-19(18)28-13-20(25)22-15-1-2-17-14(9-15)3-4-21-17/h1-4,9-10,12,21H,5-8,11,13H2,(H,22,25)
InChIKeyXTDQBIJWJZCHOL-UHFFFAOYSA-N
XLogP1.97
TPSA96.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dichlorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 51052882
N-(3-acetylphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 51054597
N-[(4-fluorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 71829044
N-(2,5-dimethoxyphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 51053797
2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(3-methylphenyl)acetamide
CID 18575664
2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
CID 16802987
2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-(3-nitrophenyl)acetamide
CID 16822777
N-[4-[2-[6-(azepan-1-ylmethyl)-4-oxopyran-3-yl]oxyacetyl]phenyl]acetamide
CID 71700457
N-(1H-indol-5-yl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide
CID 51049320
2-(morpholin-4-ylmethyl)-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]pyran-4-one
CID 71708802
N-(2-morpholin-4-ylethyl)-1H-indol-5-amine
CID 82539146
N-(1H-indol-5-yl)-2-(oxetan-3-yl)acetamide
CID 112526005

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide?
The IUPAC name of N-(1H-indol-5-yl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide (CID 86207746) is N-(1H-indol-5-yl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide.
What is the SMILES notation for N-(1H-indol-5-yl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide?
The canonical SMILES for N-(1H-indol-5-yl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide is O=C(COc1coc(CN2CCOCC2)cc1=O)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of N-(1H-indol-5-yl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide?
The InChIKey is XTDQBIJWJZCHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c24-18-10-16(11-23-5-7-26-8-6-23)27-12-19(18)28-13-20(25)22-15-1-2-17-14(9-15)3-4-21-17/h1-4,9-10,12,21H,5-8,11,13H2,(H,22,25).
What are the key properties of N-(1H-indol-5-yl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide?
N-(1H-indol-5-yl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide has a molecular weight of 383.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide is sourced from PubChem (CID 86207746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).