[4-(3-bromo-4-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone

C14H18BrN3O2 — CID 163343615

IUPAC[4-(3-bromo-4-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(c2ccncc2Br)CCO1)N1CCCC1
InChIInChI=1S/C14H18BrN3O2/c15-11-9-16-4-3-12(11)18-7-8-20-13(10-18)14(19)17-5-1-2-6-17/h3-4,9,13H,1-2,5-8,10H2
InChIKeyWWYQEZPWCXUVGR-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.67
Rot. Bonds2

About [4-(3-bromo-4-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone

[4-(3-bromo-4-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 163343615) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is [4-(3-bromo-4-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(3-bromo-4-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID163343615
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name[4-(3-bromo-4-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(c2ccncc2Br)CCO1)N1CCCC1
InChIInChI=1S/C14H18BrN3O2/c15-11-9-16-4-3-12(11)18-7-8-20-13(10-18)14(19)17-5-1-2-6-17/h3-4,9,13H,1-2,5-8,10H2
InChIKeyWWYQEZPWCXUVGR-UHFFFAOYSA-N
XLogP1.67
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]pyridine-4-carbonitrile
CID 155800062
[4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800017
2-[[4-(3-bromo-4-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120965260
[4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155799926
[4-(5-bromo-3-fluoro-2-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 163343648
[4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800579
[4-[4-(dimethylamino)pyrimidin-2-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 163345813
(4-quinolin-4-ylmorpholin-2-yl)-thiomorpholin-4-ylmethanone
CID 163346299
(3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172648043
pyrrolidin-1-yl-[4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone
CID 155799944
pyrrolidin-1-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholin-2-yl]methanone
CID 155800406
(3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine
CID 124595065

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromo-4-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(3-bromo-4-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone (CID 163343615) is [4-(3-bromo-4-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(3-bromo-4-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(3-bromo-4-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone is O=C(C1CN(c2ccncc2Br)CCO1)N1CCCC1.
What is the InChIKey of [4-(3-bromo-4-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is WWYQEZPWCXUVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c15-11-9-16-4-3-12(11)18-7-8-20-13(10-18)14(19)17-5-1-2-6-17/h3-4,9,13H,1-2,5-8,10H2.
What are the key properties of [4-(3-bromo-4-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
[4-(3-bromo-4-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 340.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromo-4-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 163343615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).