6-(3-bromophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyridine-3-carboxamide

C22H17BrN4O4 — CID 55839599

IUPAC6-(3-bromophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyridine-3-carboxamide
SMILESCC1(c2cccc(NC(=O)c3ccc(Oc4cccc(Br)c4)nc3)c2)NC(=O)NC1=O
InChIInChI=1S/C22H17BrN4O4/c1-22(20(29)26-21(30)27-22)14-4-2-6-16(10-14)25-19(28)13-8-9-18(24-12-13)31-17-7-3-5-15(23)11-17/h2-12H,1H3,(H,25,28)(H2,26,27,29,30)
InChIKeyIVRKCBXIBLRVKS-UHFFFAOYSA-N
MW481.31 g/mol
LogP3.94
Rot. Bonds5

About 6-(3-bromophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyridine-3-carboxamide

6-(3-bromophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyridine-3-carboxamide (PubChem CID 55839599) has the molecular formula C22H17BrN4O4 and a molecular weight of 481.31 g/mol. Its IUPAC name is 6-(3-bromophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyridine-3-carboxamide
PubChem CID55839599
Molecular FormulaC22H17BrN4O4
Molecular Weight481.31 g/mol
Exact Mass480.04
IUPAC Name6-(3-bromophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyridine-3-carboxamide
SMILESCC1(c2cccc(NC(=O)c3ccc(Oc4cccc(Br)c4)nc3)c2)NC(=O)NC1=O
InChIInChI=1S/C22H17BrN4O4/c1-22(20(29)26-21(30)27-22)14-4-2-6-16(10-14)25-19(28)13-8-9-18(24-12-13)31-17-7-3-5-15(23)11-17/h2-12H,1H3,(H,25,28)(H2,26,27,29,30)
InChIKeyIVRKCBXIBLRVKS-UHFFFAOYSA-N
XLogP3.94
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.31
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 6-(3-bromophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carboxamide
CID 51949297
6-(3-bromophenoxy)-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 46458129
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide
CID 166226982
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-(3-bromophenoxy)pyridine-3-carboxamide
CID 55706261
6-(3-bromophenoxy)-N-(2-hydroxy-5-methylphenyl)pyridine-3-carboxamide
CID 60562203
4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide
CID 51949356
6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 46459917
6-(3-bromophenoxy)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 55699313
6-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 46458349
6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
CID 78887929
6-(3-bromophenoxy)-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide
CID 55706653
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(methylsulfonylmethyl)benzamide
CID 51949404

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyridine-3-carboxamide (CID 55839599) is 6-(3-bromophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyridine-3-carboxamide is CC1(c2cccc(NC(=O)c3ccc(Oc4cccc(Br)c4)nc3)c2)NC(=O)NC1=O.
What is the InChIKey of 6-(3-bromophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is IVRKCBXIBLRVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4O4/c1-22(20(29)26-21(30)27-22)14-4-2-6-16(10-14)25-19(28)13-8-9-18(24-12-13)31-17-7-3-5-15(23)11-17/h2-12H,1H3,(H,25,28)(H2,26,27,29,30).
What are the key properties of 6-(3-bromophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyridine-3-carboxamide?
6-(3-bromophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 481.31 g/mol, XLogP of 3.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55839599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).