2-(4-bromophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide

C23H20BrN3O3 — CID 39283941

IUPAC2-(4-bromophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)c1cccnc1Oc1ccc(Br)cc1
InChIInChI=1S/C23H20BrN3O3/c24-17-7-11-19(12-8-17)30-23-20(3-1-13-25-23)22(29)26-15-16-5-9-18(10-6-16)27-14-2-4-21(27)28/h1,3,5-13H,2,4,14-15H2,(H,26,29)
InChIKeyJSOGJUMYAHIMRB-UHFFFAOYSA-N
MW466.34 g/mol
LogP4.69
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide

2-(4-bromophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 39283941) has the molecular formula C23H20BrN3O3 and a molecular weight of 466.34 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID39283941
Molecular FormulaC23H20BrN3O3
Molecular Weight466.34 g/mol
Exact Mass465.07
IUPAC Name2-(4-bromophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)c1cccnc1Oc1ccc(Br)cc1
InChIInChI=1S/C23H20BrN3O3/c24-17-7-11-19(12-8-17)30-23-20(3-1-13-25-23)22(29)26-15-16-5-9-18(10-6-16)27-14-2-4-21(27)28/h1,3,5-13H,2,4,14-15H2,(H,26,29)
InChIKeyJSOGJUMYAHIMRB-UHFFFAOYSA-N
XLogP4.69
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.34
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589720
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 8588320
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate
CID 51110358
2-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 27171286
4-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenoxy]benzamide
CID 56545380
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
2-(4-bromophenoxy)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyridine-3-carboxamide
CID 52588094
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 166241121
5-methoxy-2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-4-carboxamide
CID 146038734
4-(2-oxopiperidin-1-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
CID 55614012
5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide
CID 154845834
2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide
CID 8589010

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide (CID 39283941) is 2-(4-bromophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc(N2CCCC2=O)cc1)c1cccnc1Oc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is JSOGJUMYAHIMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O3/c24-17-7-11-19(12-8-17)30-23-20(3-1-13-25-23)22(29)26-15-16-5-9-18(10-6-16)27-14-2-4-21(27)28/h1,3,5-13H,2,4,14-15H2,(H,26,29).
What are the key properties of 2-(4-bromophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide?
2-(4-bromophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 466.34 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 39283941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).