1-(3-bromophenyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide

C23H20BrN3O4 — CID 55661485

IUPAC1-(3-bromophenyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)C2CC(=O)N(c3cccc(Br)c3)C2)cc1
InChIInChI=1S/C23H20BrN3O4/c1-30-18-7-9-19(10-8-18)31-23-20(6-3-11-25-23)26-22(29)15-12-21(28)27(14-15)17-5-2-4-16(24)13-17/h2-11,13,15H,12,14H2,1H3,(H,26,29)
InChIKeyOMKOVPFTWXISDS-UHFFFAOYSA-N
MW482.33 g/mol
LogP4.64
Rot. Bonds6

About 1-(3-bromophenyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide

1-(3-bromophenyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55661485) has the molecular formula C23H20BrN3O4 and a molecular weight of 482.33 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55661485
Molecular FormulaC23H20BrN3O4
Molecular Weight482.33 g/mol
Exact Mass481.06
IUPAC Name1-(3-bromophenyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)C2CC(=O)N(c3cccc(Br)c3)C2)cc1
InChIInChI=1S/C23H20BrN3O4/c1-30-18-7-9-19(10-8-18)31-23-20(6-3-11-25-23)26-22(29)15-12-21(28)27(14-15)17-5-2-4-16(24)13-17/h2-11,13,15H,12,14H2,1H3,(H,26,29)
InChIKeyOMKOVPFTWXISDS-UHFFFAOYSA-N
XLogP4.64
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.33
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 46581777
1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42890520
N-(2,5-dibromophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55611400
1-(3-bromophenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42952948
N-(4-bromo-2-methylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3576212
(3S)-N-(4-bromo-2-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260449
(3R)-1-(3-methoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 1260283
1-(4-methoxyphenyl)-5-oxo-N-(2-thiomorpholin-4-yl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 47088346
N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964360
N-(2-ethoxy-3-pyridinyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55678986
1-(3-bromophenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 42952846
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 122319738

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide (CID 55661485) is 1-(3-bromophenyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(Oc2ncccc2NC(=O)C2CC(=O)N(c3cccc(Br)c3)C2)cc1.
What is the InChIKey of 1-(3-bromophenyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OMKOVPFTWXISDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O4/c1-30-18-7-9-19(10-8-18)31-23-20(6-3-11-25-23)26-22(29)15-12-21(28)27(14-15)17-5-2-4-16(24)13-17/h2-11,13,15H,12,14H2,1H3,(H,26,29).
What are the key properties of 1-(3-bromophenyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
1-(3-bromophenyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 482.33 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55661485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).