2-(4-bromophenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]pyridine-3-carboxamide

C25H23BrN4O2 — CID 55970285

IUPAC2-(4-bromophenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]pyridine-3-carboxamide
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cccnc1Oc1ccc(Br)cc1
InChIInChI=1S/C25H23BrN4O2/c1-30(16-6-9-20-17-23(29-28-20)18-7-3-2-4-8-18)25(31)22-10-5-15-27-24(22)32-21-13-11-19(26)12-14-21/h2-5,7-8,10-15,17H,6,9,16H2,1H3,(H,28,29)
InChIKeyGNDKZIWUZIKPIX-UHFFFAOYSA-N
MW491.39 g/mol
LogP5.73
Rot. Bonds8

About 2-(4-bromophenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]pyridine-3-carboxamide

2-(4-bromophenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]pyridine-3-carboxamide (PubChem CID 55970285) has the molecular formula C25H23BrN4O2 and a molecular weight of 491.39 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]pyridine-3-carboxamide
PubChem CID55970285
Molecular FormulaC25H23BrN4O2
Molecular Weight491.39 g/mol
Exact Mass490.10
IUPAC Name2-(4-bromophenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]pyridine-3-carboxamide
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cccnc1Oc1ccc(Br)cc1
InChIInChI=1S/C25H23BrN4O2/c1-30(16-6-9-20-17-23(29-28-20)18-7-3-2-4-8-18)25(31)22-10-5-15-27-24(22)32-21-13-11-19(26)12-14-21/h2-5,7-8,10-15,17H,6,9,16H2,1H3,(H,28,29)
InChIKeyGNDKZIWUZIKPIX-UHFFFAOYSA-N
XLogP5.73
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.39
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromophenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]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

2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 55687965
3-bromo-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide
CID 55969519
2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
CID 55866365
N-(3-amino-2,2-dimethylpropyl)-2-(4-bromophenoxy)-N-methylpyridine-3-carboxamide
CID 119653810
2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55970403
2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride
CID 119296616
N,2-dimethyl-3-nitro-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide
CID 60549883
N-benzyl-2-(4-bromophenoxy)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 78873503
2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride
CID 120589459
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-phenoxypyridine-3-carboxamide
CID 55431158
(2S)-2-amino-N,3,3-trimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]butanamide;hydrochloride
CID 119736665
4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride
CID 119737086

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 2-(4-bromophenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]pyridine-3-carboxamide (CID 55970285) is 2-(4-bromophenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]pyridine-3-carboxamide is CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cccnc1Oc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]pyridine-3-carboxamide?
The InChIKey is GNDKZIWUZIKPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrN4O2/c1-30(16-6-9-20-17-23(29-28-20)18-7-3-2-4-8-18)25(31)22-10-5-15-27-24(22)32-21-13-11-19(26)12-14-21/h2-5,7-8,10-15,17H,6,9,16H2,1H3,(H,28,29).
What are the key properties of 2-(4-bromophenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]pyridine-3-carboxamide?
2-(4-bromophenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]pyridine-3-carboxamide has a molecular weight of 491.39 g/mol, XLogP of 5.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 55970285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).