6-(3-bromophenoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide

C22H20BrN3O3 — CID 55706775

IUPAC6-(3-bromophenoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2ccc(Oc3cccc(Br)c3)nc2)cc1
InChIInChI=1S/C22H20BrN3O3/c1-26(2)22(28)16-8-6-15(7-9-16)13-25-21(27)17-10-11-20(24-14-17)29-19-5-3-4-18(23)12-19/h3-12,14H,13H2,1-2H3,(H,25,27)
InChIKeyIVMXZMHZRMZFDC-UHFFFAOYSA-N
MW454.32 g/mol
LogP4.27
Rot. Bonds6

About 6-(3-bromophenoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide

6-(3-bromophenoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 55706775) has the molecular formula C22H20BrN3O3 and a molecular weight of 454.32 g/mol. Its IUPAC name is 6-(3-bromophenoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID55706775
Molecular FormulaC22H20BrN3O3
Molecular Weight454.32 g/mol
Exact Mass453.07
IUPAC Name6-(3-bromophenoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2ccc(Oc3cccc(Br)c3)nc2)cc1
InChIInChI=1S/C22H20BrN3O3/c1-26(2)22(28)16-8-6-15(7-9-16)13-25-21(27)17-10-11-20(24-14-17)29-19-5-3-4-18(23)12-19/h3-12,14H,13H2,1-2H3,(H,25,27)
InChIKeyIVMXZMHZRMZFDC-UHFFFAOYSA-N
XLogP4.27
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.32
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
CID 78887929
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-(3-bromophenoxy)pyridine-3-carboxamide
CID 55706261
6-(3-bromophenoxy)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 46487926
6-(3-bromophenoxy)-N-[2-(cyclohexanecarbonylamino)ethyl]pyridine-3-carboxamide
CID 55806412
6-(3-bromophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 60526548
N-benzyl-1-[6-(3-bromophenoxy)pyridine-3-carbonyl]piperidine-4-carboxamide
CID 46458174
N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 78901073
1-[6-(3-bromophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058512
6-(3-bromophenoxy)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 55699313
6-(3-bromophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119513174
[6-(3-bromophenoxy)-3-pyridinyl]methanol
CID 61255243
6-(3-bromophenoxy)-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide
CID 55706653

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide (CID 55706775) is 6-(3-bromophenoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide is CN(C)C(=O)c1ccc(CNC(=O)c2ccc(Oc3cccc(Br)c3)nc2)cc1.
What is the InChIKey of 6-(3-bromophenoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is IVMXZMHZRMZFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O3/c1-26(2)22(28)16-8-6-15(7-9-16)13-25-21(27)17-10-11-20(24-14-17)29-19-5-3-4-18(23)12-19/h3-12,14H,13H2,1-2H3,(H,25,27).
What are the key properties of 6-(3-bromophenoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide?
6-(3-bromophenoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 454.32 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 55706775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).