N-(2-anilino-2-oxoethyl)-2-(3-bromophenoxy)-N-methylpyridine-3-carboxamide

C21H18BrN3O3 — CID 46473407

IUPACN-(2-anilino-2-oxoethyl)-2-(3-bromophenoxy)-N-methylpyridine-3-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1cccnc1Oc1cccc(Br)c1
InChIInChI=1S/C21H18BrN3O3/c1-25(14-19(26)24-16-8-3-2-4-9-16)21(27)18-11-6-12-23-20(18)28-17-10-5-7-15(22)13-17/h2-13H,14H2,1H3,(H,24,26)
InChIKeyWBYRUSQUQKFBSW-UHFFFAOYSA-N
MW440.30 g/mol
LogP4.35
Rot. Bonds6

About N-(2-anilino-2-oxoethyl)-2-(3-bromophenoxy)-N-methylpyridine-3-carboxamide

N-(2-anilino-2-oxoethyl)-2-(3-bromophenoxy)-N-methylpyridine-3-carboxamide (PubChem CID 46473407) has the molecular formula C21H18BrN3O3 and a molecular weight of 440.30 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-2-(3-bromophenoxy)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-2-(3-bromophenoxy)-N-methylpyridine-3-carboxamide
PubChem CID46473407
Molecular FormulaC21H18BrN3O3
Molecular Weight440.30 g/mol
Exact Mass439.05
IUPAC NameN-(2-anilino-2-oxoethyl)-2-(3-bromophenoxy)-N-methylpyridine-3-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1cccnc1Oc1cccc(Br)c1
InChIInChI=1S/C21H18BrN3O3/c1-25(14-19(26)24-16-8-3-2-4-9-16)21(27)18-11-6-12-23-20(18)28-17-10-5-7-15(22)13-17/h2-13H,14H2,1H3,(H,24,26)
InChIKeyWBYRUSQUQKFBSW-UHFFFAOYSA-N
XLogP4.35
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.30
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-3-carboxamide
CID 103752364
2-(3-bromophenoxy)-N-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 78883963
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 134034240
2-(4-bromophenyl)sulfanyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 55330536
2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 2468311
N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide
CID 103752363
2-(3-acetamidophenoxy)pyridine-3-carboxylic acid
CID 22612378
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-phenoxypyridine-3-carboxamide
CID 55431158
N-(3-methylphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513585
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
CID 55355394
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-phenylethyl)benzamide
CID 24818015
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(phenoxymethyl)benzamide
CID 167897883

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-2-(3-bromophenoxy)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-2-(3-bromophenoxy)-N-methylpyridine-3-carboxamide (CID 46473407) is N-(2-anilino-2-oxoethyl)-2-(3-bromophenoxy)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-2-(3-bromophenoxy)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-2-(3-bromophenoxy)-N-methylpyridine-3-carboxamide is CN(CC(=O)Nc1ccccc1)C(=O)c1cccnc1Oc1cccc(Br)c1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-2-(3-bromophenoxy)-N-methylpyridine-3-carboxamide?
The InChIKey is WBYRUSQUQKFBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O3/c1-25(14-19(26)24-16-8-3-2-4-9-16)21(27)18-11-6-12-23-20(18)28-17-10-5-7-15(22)13-17/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of N-(2-anilino-2-oxoethyl)-2-(3-bromophenoxy)-N-methylpyridine-3-carboxamide?
N-(2-anilino-2-oxoethyl)-2-(3-bromophenoxy)-N-methylpyridine-3-carboxamide has a molecular weight of 440.30 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-2-(3-bromophenoxy)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 46473407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).