4-[3-[(3-bromo-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one

C19H18BrN3O3 — CID 122249987

IUPAC4-[3-[(3-bromo-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2)C1)N1CC(Oc2ncccc2Br)C1
InChIInChI=1S/C19H18BrN3O3/c20-16-7-4-8-21-18(16)26-15-11-22(12-15)19(25)13-9-17(24)23(10-13)14-5-2-1-3-6-14/h1-8,13,15H,9-12H2
InChIKeyJPABLQZHQMPESH-UHFFFAOYSA-N
MW416.28 g/mol
LogP2.49
Rot. Bonds4

About 4-[3-[(3-bromo-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one

4-[3-[(3-bromo-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one (PubChem CID 122249987) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is 4-[3-[(3-bromo-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-[(3-bromo-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
PubChem CID122249987
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name4-[3-[(3-bromo-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2)C1)N1CC(Oc2ncccc2Br)C1
InChIInChI=1S/C19H18BrN3O3/c20-16-7-4-8-21-18(16)26-15-11-22(12-15)19(25)13-9-17(24)23(10-13)14-5-2-1-3-6-14/h1-8,13,15H,9-12H2
InChIKeyJPABLQZHQMPESH-UHFFFAOYSA-N
XLogP2.49
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-cyclopropylmethanone
CID 122249860
1-(3-bromophenyl)-4-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one
CID 122250750
1-(4-methoxyphenyl)-4-(3-pyridin-2-yloxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 122247205
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
1-(3-bromophenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 90636858
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone
CID 71799453
(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 9350587
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 122249894
2-[1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 97416743
1-phenyl-4-(pyrazole-1-carbonyl)pyrrolidin-2-one
CID 110465044
4-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 122248397
1-methyl-4-(3-pyridin-2-yloxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 122247283

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-bromo-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-[3-[(3-bromo-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one (CID 122249987) is 4-[3-[(3-bromo-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-[3-[(3-bromo-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-[3-[(3-bromo-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one is O=C(C1CC(=O)N(c2ccccc2)C1)N1CC(Oc2ncccc2Br)C1.
What is the InChIKey of 4-[3-[(3-bromo-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The InChIKey is JPABLQZHQMPESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c20-16-7-4-8-21-18(16)26-15-11-22(12-15)19(25)13-9-17(24)23(10-13)14-5-2-1-3-6-14/h1-8,13,15H,9-12H2.
What are the key properties of 4-[3-[(3-bromo-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
4-[3-[(3-bromo-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one has a molecular weight of 416.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-bromo-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 122249987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).