5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]methyl]pyridin-2-one

C17H18BrN3O3 — CID 91023144

IUPAC5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]methyl]pyridin-2-one
SMILESCn1cc(Br)cc(Cc2ccc(C(=O)N3CCOCC3)cn2)c1=O
InChIInChI=1S/C17H18BrN3O3/c1-20-11-14(18)8-13(16(20)22)9-15-3-2-12(10-19-15)17(23)21-4-6-24-7-5-21/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeyARKUVVQFIMRPRZ-UHFFFAOYSA-N
MW392.25 g/mol
LogP1.61
Rot. Bonds3

About 5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]methyl]pyridin-2-one

5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]methyl]pyridin-2-one (PubChem CID 91023144) has the molecular formula C17H18BrN3O3 and a molecular weight of 392.25 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]methyl]pyridin-2-one
PubChem CID91023144
Molecular FormulaC17H18BrN3O3
Molecular Weight392.25 g/mol
Exact Mass391.05
IUPAC Name5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]methyl]pyridin-2-one
SMILESCn1cc(Br)cc(Cc2ccc(C(=O)N3CCOCC3)cn2)c1=O
InChIInChI=1S/C17H18BrN3O3/c1-20-11-14(18)8-13(16(20)22)9-15-3-2-12(10-19-15)17(23)21-4-6-24-7-5-21/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeyARKUVVQFIMRPRZ-UHFFFAOYSA-N
XLogP1.61
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridin-2-one;1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
CID 160688493
6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone
CID 160724807
5-bromo-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
CID 66610082
(6-fluoro-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 63979575
4-chloro-N-[1-methyl-5-(morpholine-4-carbonyl)-2-oxo-3-pyridinyl]benzamide
CID 30836918
morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
CID 20863908
morpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone
CID 109252034
(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
CID 18960596
(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone
CID 46738891
morpholin-4-yl(pyridazin-4-yl)methanone
CID 115736040
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-(1,4-oxazepan-4-yl)methanone
CID 146956911
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]methyl]pyridin-2-one (CID 91023144) is 5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]methyl]pyridin-2-one is Cn1cc(Br)cc(Cc2ccc(C(=O)N3CCOCC3)cn2)c1=O.
What is the InChIKey of 5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]methyl]pyridin-2-one?
The InChIKey is ARKUVVQFIMRPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O3/c1-20-11-14(18)8-13(16(20)22)9-15-3-2-12(10-19-15)17(23)21-4-6-24-7-5-21/h2-3,8,10-11H,4-7,9H2,1H3.
What are the key properties of 5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]methyl]pyridin-2-one?
5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]methyl]pyridin-2-one has a molecular weight of 392.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]methyl]pyridin-2-one is sourced from PubChem (CID 91023144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).