N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C18H18BrN3O3 — CID 75401577

IUPACN-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3cn(C)cc(Br)c3=O)CC2=O)cc1
InChIInChI=1S/C18H18BrN3O3/c1-11-3-5-13(6-4-11)22-8-12(7-16(22)23)18(25)20-15-10-21(2)9-14(19)17(15)24/h3-6,9-10,12H,7-8H2,1-2H3,(H,20,25)
InChIKeyDGNDVAXZUSSHDU-UHFFFAOYSA-N
MW404.26 g/mol
LogP2.45
Rot. Bonds3

About N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 75401577) has the molecular formula C18H18BrN3O3 and a molecular weight of 404.26 g/mol. Its IUPAC name is N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID75401577
Molecular FormulaC18H18BrN3O3
Molecular Weight404.26 g/mol
Exact Mass403.05
IUPAC NameN-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3cn(C)cc(Br)c3=O)CC2=O)cc1
InChIInChI=1S/C18H18BrN3O3/c1-11-3-5-13(6-4-11)22-8-12(7-16(22)23)18(25)20-15-10-21(2)9-14(19)17(15)24/h3-6,9-10,12H,7-8H2,1-2H3,(H,20,25)
InChIKeyDGNDVAXZUSSHDU-UHFFFAOYSA-N
XLogP2.45
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97261699
(3S)-N-(2-acetamido-5-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 52516120
(3S)-1-(4-bromophenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1109935
(3R)-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 880261
(3S)-N-(2-chlorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 715111
(3R)-N-(4-bromo-2-ethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260237
N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4779713
1-(4-bromo-3-methylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578133
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 878925
1-(4-methylphenyl)-5-oxo-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 112789393
(3S)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680417
1-(4-methylphenyl)-5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide
CID 108793691

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 75401577) is N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3cn(C)cc(Br)c3=O)CC2=O)cc1.
What is the InChIKey of N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DGNDVAXZUSSHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O3/c1-11-3-5-13(6-4-11)22-8-12(7-16(22)23)18(25)20-15-10-21(2)9-14(19)17(15)24/h3-6,9-10,12H,7-8H2,1-2H3,(H,20,25).
What are the key properties of N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 404.26 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 75401577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).