1-(2-bromophenyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide

C19H21BrN4O2 — CID 55691905

IUPAC1-(2-bromophenyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)c1ncccc1CNC(=O)C1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C19H21BrN4O2/c1-23(2)18-13(6-5-9-21-18)11-22-19(26)14-10-17(25)24(12-14)16-8-4-3-7-15(16)20/h3-9,14H,10-12H2,1-2H3,(H,22,26)
InChIKeyPHSZBDHZYQVJMU-UHFFFAOYSA-N
MW417.31 g/mol
LogP2.58
Rot. Bonds5

About 1-(2-bromophenyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide

1-(2-bromophenyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55691905) has the molecular formula C19H21BrN4O2 and a molecular weight of 417.31 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55691905
Molecular FormulaC19H21BrN4O2
Molecular Weight417.31 g/mol
Exact Mass416.08
IUPAC Name1-(2-bromophenyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)c1ncccc1CNC(=O)C1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C19H21BrN4O2/c1-23(2)18-13(6-5-9-21-18)11-22-19(26)14-10-17(25)24(12-14)16-8-4-3-7-15(16)20/h3-9,14H,10-12H2,1-2H3,(H,22,26)
InChIKeyPHSZBDHZYQVJMU-UHFFFAOYSA-N
XLogP2.58
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 55613825
(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838716
1-(2-bromophenyl)-5-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 46587264
1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 86825580
1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372
(3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 39340628
1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 71881105
1-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 87043657
1-(2-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55576367
(3S)-1-(2-bromophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 51729548
(3R)-1-(2-bromophenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide
CID 39562299
(3R)-1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 26644337

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 55691905) is 1-(2-bromophenyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide is CN(C)c1ncccc1CNC(=O)C1CC(=O)N(c2ccccc2Br)C1.
What is the InChIKey of 1-(2-bromophenyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PHSZBDHZYQVJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O2/c1-23(2)18-13(6-5-9-21-18)11-22-19(26)14-10-17(25)24(12-14)16-8-4-3-7-15(16)20/h3-9,14H,10-12H2,1-2H3,(H,22,26).
What are the key properties of 1-(2-bromophenyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-bromophenyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 417.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55691905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).