(4-bromophenyl)-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone

C17H17BrN2O2 — CID 129417594

IUPAC(4-bromophenyl)-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
SMILESCc1cccc(O[C@@H]2CCN(C(=O)c3ccc(Br)cc3)C2)n1
InChIInChI=1S/C17H17BrN2O2/c1-12-3-2-4-16(19-12)22-15-9-10-20(11-15)17(21)13-5-7-14(18)8-6-13/h2-8,15H,9-11H2,1H3/t15-/m1/s1
InChIKeyQAMMSSCNDYOUSW-OAHLLOKOSA-N
MW361.24 g/mol
LogP3.45
Rot. Bonds3

About (4-bromophenyl)-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone

(4-bromophenyl)-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone (PubChem CID 129417594) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is (4-bromophenyl)-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
PubChem CID129417594
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name(4-bromophenyl)-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
SMILESCc1cccc(O[C@@H]2CCN(C(=O)c3ccc(Br)cc3)C2)n1
InChIInChI=1S/C17H17BrN2O2/c1-12-3-2-4-16(19-12)22-15-9-10-20(11-15)17(21)13-5-7-14(18)8-6-13/h2-8,15H,9-11H2,1H3/t15-/m1/s1
InChIKeyQAMMSSCNDYOUSW-OAHLLOKOSA-N
XLogP3.45
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 129418309
1,3-benzodioxol-5-yl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 71799555
(3-methylphenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122249483
(4-bromophenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251830
1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249452
cyclobutyl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 72717362
(4-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261283
5-[3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]-1H-pyridin-2-one
CID 122249403
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 119100305
(3,4-dimethoxyphenyl)-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 171701550
(3S)-3-[(6-methyl-2-pyridinyl)oxy]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide
CID 129416846
(4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone
CID 129417459

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone (CID 129417594) is (4-bromophenyl)-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone is Cc1cccc(O[C@@H]2CCN(C(=O)c3ccc(Br)cc3)C2)n1.
What is the InChIKey of (4-bromophenyl)-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone?
The InChIKey is QAMMSSCNDYOUSW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-12-3-2-4-16(19-12)22-15-9-10-20(11-15)17(21)13-5-7-14(18)8-6-13/h2-8,15H,9-11H2,1H3/t15-/m1/s1.
What are the key properties of (4-bromophenyl)-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone?
(4-bromophenyl)-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone has a molecular weight of 361.24 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129417594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).