N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-(3-bromophenoxy)pyridine-3-carboxamide

C22H20BrN3O3 — CID 55706261

IUPACN-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-(3-bromophenoxy)pyridine-3-carboxamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)c1
InChIInChI=1S/C22H20BrN3O3/c1-15(27)26(2)14-16-5-3-7-19(11-16)25-22(28)17-9-10-21(24-13-17)29-20-8-4-6-18(23)12-20/h3-13H,14H2,1-2H3,(H,25,28)
InChIKeyBQYVSUCGCBJUEM-UHFFFAOYSA-N
MW454.32 g/mol
LogP4.87
Rot. Bonds6

About N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-(3-bromophenoxy)pyridine-3-carboxamide

N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-(3-bromophenoxy)pyridine-3-carboxamide (PubChem CID 55706261) has the molecular formula C22H20BrN3O3 and a molecular weight of 454.32 g/mol. Its IUPAC name is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-(3-bromophenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-(3-bromophenoxy)pyridine-3-carboxamide
PubChem CID55706261
Molecular FormulaC22H20BrN3O3
Molecular Weight454.32 g/mol
Exact Mass453.07
IUPAC NameN-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-(3-bromophenoxy)pyridine-3-carboxamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)c1
InChIInChI=1S/C22H20BrN3O3/c1-15(27)26(2)14-16-5-3-7-19(11-16)25-22(28)17-9-10-21(24-13-17)29-20-8-4-6-18(23)12-20/h3-13H,14H2,1-2H3,(H,25,28)
InChIKeyBQYVSUCGCBJUEM-UHFFFAOYSA-N
XLogP4.87
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 ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenoxy)-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 46458129
6-(3-bromophenoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55706775
6-(3-bromophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyridine-3-carboxamide
CID 55839599
6-(3-bromophenoxy)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 55699313
6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
CID 78887929
6-(3-bromophenoxy)-N-(2-hydroxy-5-methylphenyl)pyridine-3-carboxamide
CID 60562203
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 38585679
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
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-4-methylsulfonylbenzamide
CID 38585176
6-(3-bromophenoxy)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 46487926
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55654311

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-(3-bromophenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-(3-bromophenoxy)pyridine-3-carboxamide (CID 55706261) is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-(3-bromophenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-(3-bromophenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-(3-bromophenoxy)pyridine-3-carboxamide is CC(=O)N(C)Cc1cccc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)c1.
What is the InChIKey of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-(3-bromophenoxy)pyridine-3-carboxamide?
The InChIKey is BQYVSUCGCBJUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O3/c1-15(27)26(2)14-16-5-3-7-19(11-16)25-22(28)17-9-10-21(24-13-17)29-20-8-4-6-18(23)12-20/h3-13H,14H2,1-2H3,(H,25,28).
What are the key properties of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-(3-bromophenoxy)pyridine-3-carboxamide?
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-(3-bromophenoxy)pyridine-3-carboxamide has a molecular weight of 454.32 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-(3-bromophenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 55706261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).