1'-[(5-bromo-2-pyridinyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one

C19H20BrN3O — CID 134789199

IUPAC1'-[(5-bromo-2-pyridinyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one
SMILESO=C1NCc2ccccc2CC12CCCN2Cc1ccc(Br)cn1
InChIInChI=1S/C19H20BrN3O/c20-16-6-7-17(21-12-16)13-23-9-3-8-19(23)10-14-4-1-2-5-15(14)11-22-18(19)24/h1-2,4-7,12H,3,8-11,13H2,(H,22,24)
InChIKeyMKYOAXQPJQBJPM-UHFFFAOYSA-N
MW386.29 g/mol
LogP3.05
Rot. Bonds2

About 1'-[(5-bromo-2-pyridinyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one

1'-[(5-bromo-2-pyridinyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one (PubChem CID 134789199) has the molecular formula C19H20BrN3O and a molecular weight of 386.29 g/mol. Its IUPAC name is 1'-[(5-bromo-2-pyridinyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one.

Molecular Properties

Compound Name1'-[(5-bromo-2-pyridinyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one
PubChem CID134789199
Molecular FormulaC19H20BrN3O
Molecular Weight386.29 g/mol
Exact Mass385.08
IUPAC Name1'-[(5-bromo-2-pyridinyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one
SMILESO=C1NCc2ccccc2CC12CCCN2Cc1ccc(Br)cn1
InChIInChI=1S/C19H20BrN3O/c20-16-6-7-17(21-12-16)13-23-9-3-8-19(23)10-14-4-1-2-5-15(14)11-22-18(19)24/h1-2,4-7,12H,3,8-11,13H2,(H,22,24)
InChIKeyMKYOAXQPJQBJPM-UHFFFAOYSA-N
XLogP3.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1'-[(5-bromo-2-pyridinyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one with MolForge

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Related Compounds

N-[(3-bromophenyl)methyl]-3-oxo-2-(2-pyridin-2-ylethyl)-1H-isoindole-1-carboxamide
CID 44543783
n-(4-Bromobenzyl)-3-oxo-2-(2-(pyridin-2-yl)ethyl)isoindoline-1-carboxamide
CID 44543784
(6S)-1-[(4-bromophenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
CID 53304684
(6R)-1-[(4-bromophenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
CID 53304685
5-bromo-N-(4-pyrrolidin-3-ylphenyl)pyridine-2-carboxamide
CID 53251096
N-[(E)-3-(azepan-1-yl)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]-3-bromobenzamide
CID 1042797
2-[(3R,4R)-4-benzyl-2-oxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(4-bromophenyl)acetamide
CID 46902965
N-(4-bromophenyl)-2-[(3R,4R)-2-keto-4-propyl-1-(3-pyridylmethyl)pyrrolidin-3-yl]acetamide
CID 46902967
N-[(2-bromophenyl)methyl]-2-methyl-1-[(4-pyridin-2-ylphenyl)methyl]azetidine-2-carboxamide
CID 49795267
6-(Aminomethyl)-3-bromo-7-(2-methylpropyl)-5-phenyl-1,7-naphthyridin-8-one
CID 137644837
(3R,4S)-N-[(4-bromophenyl)methyl]-4-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 155533029
D-Phenylalanyl-N-(Pyridin-2-Ylmethyl)-L-Prolinamide
CID 57336488

Frequently Asked Questions

What is the IUPAC name of 1'-[(5-bromo-2-pyridinyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one?
The IUPAC name of 1'-[(5-bromo-2-pyridinyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one (CID 134789199) is 1'-[(5-bromo-2-pyridinyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one.
What is the SMILES notation for 1'-[(5-bromo-2-pyridinyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one?
The canonical SMILES for 1'-[(5-bromo-2-pyridinyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one is O=C1NCc2ccccc2CC12CCCN2Cc1ccc(Br)cn1.
What is the InChIKey of 1'-[(5-bromo-2-pyridinyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one?
The InChIKey is MKYOAXQPJQBJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O/c20-16-6-7-17(21-12-16)13-23-9-3-8-19(23)10-14-4-1-2-5-15(14)11-22-18(19)24/h1-2,4-7,12H,3,8-11,13H2,(H,22,24).
What are the key properties of 1'-[(5-bromo-2-pyridinyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one?
1'-[(5-bromo-2-pyridinyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one has a molecular weight of 386.29 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(5-bromo-2-pyridinyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one is sourced from PubChem (CID 134789199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).