6-(4-bromophenoxy)-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide

C18H17BrN4O2 — CID 55792268

IUPAC6-(4-bromophenoxy)-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCn1cccn1)c1ccc(Oc2ccc(Br)cc2)nc1
InChIInChI=1S/C18H17BrN4O2/c19-15-4-6-16(7-5-15)25-17-8-3-14(13-21-17)18(24)20-9-1-11-23-12-2-10-22-23/h2-8,10,12-13H,1,9,11H2,(H,20,24)
InChIKeyGIXASXMXDGUQGV-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.65
Rot. Bonds7

About 6-(4-bromophenoxy)-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide

6-(4-bromophenoxy)-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide (PubChem CID 55792268) has the molecular formula C18H17BrN4O2 and a molecular weight of 401.26 g/mol. Its IUPAC name is 6-(4-bromophenoxy)-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-bromophenoxy)-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
PubChem CID55792268
Molecular FormulaC18H17BrN4O2
Molecular Weight401.26 g/mol
Exact Mass400.05
IUPAC Name6-(4-bromophenoxy)-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCn1cccn1)c1ccc(Oc2ccc(Br)cc2)nc1
InChIInChI=1S/C18H17BrN4O2/c19-15-4-6-16(7-5-15)25-17-8-3-14(13-21-17)18(24)20-9-1-11-23-12-2-10-22-23/h2-8,10,12-13H,1,9,11H2,(H,20,24)
InChIKeyGIXASXMXDGUQGV-UHFFFAOYSA-N
XLogP3.65
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(4-bromophenoxy)-N-(3-pyrazol-1-ylpropyl)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

4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide
CID 37394498
3-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332260
6-(4-bromophenoxy)-N-[3-(thiophene-2-carbonylamino)propyl]pyridine-3-carboxamide
CID 60610306
6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 51956127
N-(2-methyl-3-pyrazol-1-ylpropyl)-6-phenoxypyridine-3-carboxamide
CID 87018896
6-(3-bromophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 60526548
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride
CID 119625868
N-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide
CID 87002549
5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 112684462
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
6-(4-bromophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 46488695

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-bromophenoxy)-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide (CID 55792268) is 6-(4-bromophenoxy)-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-bromophenoxy)-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-bromophenoxy)-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide is O=C(NCCCn1cccn1)c1ccc(Oc2ccc(Br)cc2)nc1.
What is the InChIKey of 6-(4-bromophenoxy)-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide?
The InChIKey is GIXASXMXDGUQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O2/c19-15-4-6-16(7-5-15)25-17-8-3-14(13-21-17)18(24)20-9-1-11-23-12-2-10-22-23/h2-8,10,12-13H,1,9,11H2,(H,20,24).
What are the key properties of 6-(4-bromophenoxy)-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide?
6-(4-bromophenoxy)-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide has a molecular weight of 401.26 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenoxy)-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 55792268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).