4-bromo-1-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]pyridin-2-one

C17H20BrN3O — CID 71154282

IUPAC4-bromo-1-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]pyridin-2-one
SMILESCN(C)C1CCN(c2ccc(-n3ccc(Br)cc3=O)cc2)C1
InChIInChI=1S/C17H20BrN3O/c1-19(2)16-8-9-20(12-16)14-3-5-15(6-4-14)21-10-7-13(18)11-17(21)22/h3-7,10-11,16H,8-9,12H2,1-2H3
InChIKeyUSEASFRCACTJJK-UHFFFAOYSA-N
MW362.27 g/mol
LogP2.74
Rot. Bonds3

About 4-bromo-1-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]pyridin-2-one

4-bromo-1-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]pyridin-2-one (PubChem CID 71154282) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is 4-bromo-1-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]pyridin-2-one.

Molecular Properties

Compound Name4-bromo-1-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]pyridin-2-one
PubChem CID71154282
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name4-bromo-1-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]pyridin-2-one
SMILESCN(C)C1CCN(c2ccc(-n3ccc(Br)cc3=O)cc2)C1
InChIInChI=1S/C17H20BrN3O/c1-19(2)16-8-9-20(12-16)14-3-5-15(6-4-14)21-10-7-13(18)11-17(21)22/h3-7,10-11,16H,8-9,12H2,1-2H3
InChIKeyUSEASFRCACTJJK-UHFFFAOYSA-N
XLogP2.74
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2,7-bis[3-(dimethylamino)pyrrolidin-1-yl]fluoren-9-one;dihydrochloride
CID 67164499
3-bromo-5-[3-(dimethylamino)pyrrolidin-1-yl]benzoic acid
CID 102822945
6-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxy-1-methyl-3H-indol-2-one
CID 81309665
[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol
CID 63164119
(3S)-N,N-dimethyl-1-(4-pyrazol-1-ylphenyl)pyrrolidin-3-amine
CID 141145994
4-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]benzoic acid
CID 63163842
1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 63164363
(3S)-1-(4-bromophenyl)pyrrolidin-3-ol
CID 67148437
3-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]-6-(3-hydroxy-3-methylbut-1-en-2-yl)thieno[3,2-d]pyrimidin-4-one
CID 143525450
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]benzoic acid
CID 113419808
5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(1-hydroxyethyl)phenol
CID 79603845
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]benzenesulfonamide
CID 79467514

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]pyridin-2-one?
The IUPAC name of 4-bromo-1-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]pyridin-2-one (CID 71154282) is 4-bromo-1-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]pyridin-2-one.
What is the SMILES notation for 4-bromo-1-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]pyridin-2-one?
The canonical SMILES for 4-bromo-1-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]pyridin-2-one is CN(C)C1CCN(c2ccc(-n3ccc(Br)cc3=O)cc2)C1.
What is the InChIKey of 4-bromo-1-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]pyridin-2-one?
The InChIKey is USEASFRCACTJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-19(2)16-8-9-20(12-16)14-3-5-15(6-4-14)21-10-7-13(18)11-17(21)22/h3-7,10-11,16H,8-9,12H2,1-2H3.
What are the key properties of 4-bromo-1-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]pyridin-2-one?
4-bromo-1-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]pyridin-2-one has a molecular weight of 362.27 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]pyridin-2-one is sourced from PubChem (CID 71154282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).