2-(6-bromonaphthalen-2-yl)oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide

C21H20BrN3O3 — CID 55823377

IUPAC2-(6-bromonaphthalen-2-yl)oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
SMILESO=C(COc1ccc2cc(Br)ccc2c1)Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C21H20BrN3O3/c22-17-3-1-16-12-19(5-2-15(16)11-17)28-14-21(26)24-20-6-4-18(13-23-20)25-7-9-27-10-8-25/h1-6,11-13H,7-10,14H2,(H,23,24,26)
InChIKeyHFRIYZUVYDBEHS-UHFFFAOYSA-N
MW442.31 g/mol
LogP3.85
Rot. Bonds5

About 2-(6-bromonaphthalen-2-yl)oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide

2-(6-bromonaphthalen-2-yl)oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide (PubChem CID 55823377) has the molecular formula C21H20BrN3O3 and a molecular weight of 442.31 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
PubChem CID55823377
Molecular FormulaC21H20BrN3O3
Molecular Weight442.31 g/mol
Exact Mass441.07
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
SMILESO=C(COc1ccc2cc(Br)ccc2c1)Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C21H20BrN3O3/c22-17-3-1-16-12-19(5-2-15(16)11-17)28-14-21(26)24-20-6-4-18(13-23-20)25-7-9-27-10-8-25/h1-6,11-13H,7-10,14H2,(H,23,24,26)
InChIKeyHFRIYZUVYDBEHS-UHFFFAOYSA-N
XLogP3.85
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylphenoxy)-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 38142916
5-bromo-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 55651490
2-(2-chloro-4-phenylphenoxy)-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 55549199
2-cyclohexyl-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 43049107
2-[8-(3-methylbut-2-enyl)-2-oxochromen-7-yl]oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 162660740
3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide
CID 25469896
N-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 6467505
N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide
CID 17220799
2-(4-chlorophenoxy)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;hydrochloride
CID 119494378
3-(2-fluorophenyl)-N-(5-morpholin-4-yl-2-pyridinyl)propanamide
CID 38140626
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127
N-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 38141318

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide (CID 55823377) is 2-(6-bromonaphthalen-2-yl)oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide is O=C(COc1ccc2cc(Br)ccc2c1)Nc1ccc(N2CCOCC2)cn1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide?
The InChIKey is HFRIYZUVYDBEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O3/c22-17-3-1-16-12-19(5-2-15(16)11-17)28-14-21(26)24-20-6-4-18(13-23-20)25-7-9-27-10-8-25/h1-6,11-13H,7-10,14H2,(H,23,24,26).
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide?
2-(6-bromonaphthalen-2-yl)oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide has a molecular weight of 442.31 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 55823377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).