5-bromo-3-morpholin-4-yl-1-(oxan-4-yl)pyridin-2-one

C14H19BrN2O3 — CID 90409644

IUPAC5-bromo-3-morpholin-4-yl-1-(oxan-4-yl)pyridin-2-one
SMILESO=c1c(N2CCOCC2)cc(Br)cn1C1CCOCC1
InChIInChI=1S/C14H19BrN2O3/c15-11-9-13(16-3-7-20-8-4-16)14(18)17(10-11)12-1-5-19-6-2-12/h9-10,12H,1-8H2
InChIKeyHQVDKZTXGNRJMJ-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.80
Rot. Bonds2

About 5-bromo-3-morpholin-4-yl-1-(oxan-4-yl)pyridin-2-one

5-bromo-3-morpholin-4-yl-1-(oxan-4-yl)pyridin-2-one (PubChem CID 90409644) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 5-bromo-3-morpholin-4-yl-1-(oxan-4-yl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-morpholin-4-yl-1-(oxan-4-yl)pyridin-2-one
PubChem CID90409644
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name5-bromo-3-morpholin-4-yl-1-(oxan-4-yl)pyridin-2-one
SMILESO=c1c(N2CCOCC2)cc(Br)cn1C1CCOCC1
InChIInChI=1S/C14H19BrN2O3/c15-11-9-13(16-3-7-20-8-4-16)14(18)17(10-11)12-1-5-19-6-2-12/h9-10,12H,1-8H2
InChIKeyHQVDKZTXGNRJMJ-UHFFFAOYSA-N
XLogP1.80
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl carbamate
CID 175152234
4-(5-bromo-2-nitrophenyl)morpholine
CID 71651965
4-(6-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)morpholine
CID 169077602
3-amino-1-(oxan-4-yl)-5-(trifluoromethyl)pyridin-2-one
CID 167134417
5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(oxan-4-yl)-2-oxopyridine-4-carboxylic acid
CID 166147709
4-(5-bromo-2-cyclohexyloxy-3-pyridinyl)morpholine
CID 167395778
5-bromo-3-methyl-7-morpholin-4-yl-1H-benzimidazol-2-one
CID 171809546
(3R)-1-[(4-bromo-2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-amine
CID 120833970
(4-bromo-2-morpholin-4-ylphenyl)methanamine
CID 43364908
4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)morpholine-3-carboxamide
CID 83095402
2-bromo-7-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)cyclohepta-2,4,6-trien-1-one
CID 15763135
5-amino-1-(oxan-4-yl)pyridin-2-one
CID 165473798

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-morpholin-4-yl-1-(oxan-4-yl)pyridin-2-one?
The IUPAC name of 5-bromo-3-morpholin-4-yl-1-(oxan-4-yl)pyridin-2-one (CID 90409644) is 5-bromo-3-morpholin-4-yl-1-(oxan-4-yl)pyridin-2-one.
What is the SMILES notation for 5-bromo-3-morpholin-4-yl-1-(oxan-4-yl)pyridin-2-one?
The canonical SMILES for 5-bromo-3-morpholin-4-yl-1-(oxan-4-yl)pyridin-2-one is O=c1c(N2CCOCC2)cc(Br)cn1C1CCOCC1.
What is the InChIKey of 5-bromo-3-morpholin-4-yl-1-(oxan-4-yl)pyridin-2-one?
The InChIKey is HQVDKZTXGNRJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c15-11-9-13(16-3-7-20-8-4-16)14(18)17(10-11)12-1-5-19-6-2-12/h9-10,12H,1-8H2.
What are the key properties of 5-bromo-3-morpholin-4-yl-1-(oxan-4-yl)pyridin-2-one?
5-bromo-3-morpholin-4-yl-1-(oxan-4-yl)pyridin-2-one has a molecular weight of 343.22 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-morpholin-4-yl-1-(oxan-4-yl)pyridin-2-one is sourced from PubChem (CID 90409644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).