2-(4-bromophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide

C18H20BrN3O3 — CID 24590426

IUPAC2-(4-bromophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C18H20BrN3O3/c1-13(25-16-5-2-14(19)3-6-16)18(23)21-15-4-7-17(20-12-15)22-8-10-24-11-9-22/h2-7,12-13H,8-11H2,1H3,(H,21,23)
InChIKeyJZYGUFHABABELX-UHFFFAOYSA-N
MW406.28 g/mol
LogP3.09
Rot. Bonds5

About 2-(4-bromophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide

2-(4-bromophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide (PubChem CID 24590426) has the molecular formula C18H20BrN3O3 and a molecular weight of 406.28 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
PubChem CID24590426
Molecular FormulaC18H20BrN3O3
Molecular Weight406.28 g/mol
Exact Mass405.07
IUPAC Name2-(4-bromophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C18H20BrN3O3/c1-13(25-16-5-2-14(19)3-6-16)18(23)21-15-4-7-17(20-12-15)22-8-10-24-11-9-22/h2-7,12-13H,8-11H2,1H3,(H,21,23)
InChIKeyJZYGUFHABABELX-UHFFFAOYSA-N
XLogP3.09
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 55823804
2-(4-methylphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 43041620
2-(4-chlorophenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 17459411
(2S)-2-(4-tert-butylphenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 25396972
(2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
CID 61180630
2-(4-bromophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166744
2-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 43044639
2-(4-ethoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 53267110
(2R)-2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide
CID 25337305
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
CID 30770667
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
(2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 119839706

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide (CID 24590426) is 2-(4-bromophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide is CC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide?
The InChIKey is JZYGUFHABABELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O3/c1-13(25-16-5-2-14(19)3-6-16)18(23)21-15-4-7-17(20-12-15)22-8-10-24-11-9-22/h2-7,12-13H,8-11H2,1H3,(H,21,23).
What are the key properties of 2-(4-bromophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide?
2-(4-bromophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide has a molecular weight of 406.28 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 24590426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).