6-(3-bromophenoxy)-N-(3-nitrophenyl)pyridine-3-carboxamide

C18H12BrN3O4 — CID 46458129

IUPAC6-(3-bromophenoxy)-N-(3-nitrophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Oc2cccc(Br)c2)nc1
InChIInChI=1S/C18H12BrN3O4/c19-13-3-1-6-16(9-13)26-17-8-7-12(11-20-17)18(23)21-14-4-2-5-15(10-14)22(24)25/h1-11H,(H,21,23)
InChIKeyXPAMCXLHCZLWLR-UHFFFAOYSA-N
MW414.22 g/mol
LogP4.80
Rot. Bonds5

About 6-(3-bromophenoxy)-N-(3-nitrophenyl)pyridine-3-carboxamide

6-(3-bromophenoxy)-N-(3-nitrophenyl)pyridine-3-carboxamide (PubChem CID 46458129) has the molecular formula C18H12BrN3O4 and a molecular weight of 414.22 g/mol. Its IUPAC name is 6-(3-bromophenoxy)-N-(3-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenoxy)-N-(3-nitrophenyl)pyridine-3-carboxamide
PubChem CID46458129
Molecular FormulaC18H12BrN3O4
Molecular Weight414.22 g/mol
Exact Mass413.00
IUPAC Name6-(3-bromophenoxy)-N-(3-nitrophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Oc2cccc(Br)c2)nc1
InChIInChI=1S/C18H12BrN3O4/c19-13-3-1-6-16(9-13)26-17-8-7-12(11-20-17)18(23)21-14-4-2-5-15(10-14)22(24)25/h1-11H,(H,21,23)
InChIKeyXPAMCXLHCZLWLR-UHFFFAOYSA-N
XLogP4.80
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.22
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(3-bromophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyridine-3-carboxamide
CID 55839599
6-(4-nitrophenoxy)-N-pyridin-3-ylpyridine-3-carboxamide
CID 59607215
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-(3-bromophenoxy)pyridine-3-carboxamide
CID 55706261
N-(3-nitrophenyl)-4-phenoxybenzamide
CID 7965638
6-(3-bromophenoxy)-N-(2-hydroxy-5-methylphenyl)pyridine-3-carboxamide
CID 60562203
6-(3-bromophenoxy)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 55699313
6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 46459917
6-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 46458349
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
4-(3-bromophenoxy)-N-(3-nitrophenyl)butanamide
CID 7965665
4-nitro-N-(3-pyrimidin-2-yloxyphenyl)benzamide
CID 39262446
6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
CID 78887929

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenoxy)-N-(3-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenoxy)-N-(3-nitrophenyl)pyridine-3-carboxamide (CID 46458129) is 6-(3-bromophenoxy)-N-(3-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenoxy)-N-(3-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenoxy)-N-(3-nitrophenyl)pyridine-3-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Oc2cccc(Br)c2)nc1.
What is the InChIKey of 6-(3-bromophenoxy)-N-(3-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is XPAMCXLHCZLWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3O4/c19-13-3-1-6-16(9-13)26-17-8-7-12(11-20-17)18(23)21-14-4-2-5-15(10-14)22(24)25/h1-11H,(H,21,23).
What are the key properties of 6-(3-bromophenoxy)-N-(3-nitrophenyl)pyridine-3-carboxamide?
6-(3-bromophenoxy)-N-(3-nitrophenyl)pyridine-3-carboxamide has a molecular weight of 414.22 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenoxy)-N-(3-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 46458129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).