2-[(3-bromophenyl)methoxy]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide

C24H25BrN4O2 — CID 24658178

IUPAC2-[(3-bromophenyl)methoxy]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccccc3OCc3cccc(Br)c3)cn2)CC1
InChIInChI=1S/C24H25BrN4O2/c1-28-11-13-29(14-12-28)23-10-9-20(16-26-23)27-24(30)21-7-2-3-8-22(21)31-17-18-5-4-6-19(25)15-18/h2-10,15-16H,11-14,17H2,1H3,(H,27,30)
InChIKeyXAHFQLBLXMVREU-UHFFFAOYSA-N
MW481.39 g/mol
LogP4.43
Rot. Bonds6

About 2-[(3-bromophenyl)methoxy]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide

2-[(3-bromophenyl)methoxy]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide (PubChem CID 24658178) has the molecular formula C24H25BrN4O2 and a molecular weight of 481.39 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
PubChem CID24658178
Molecular FormulaC24H25BrN4O2
Molecular Weight481.39 g/mol
Exact Mass480.12
IUPAC Name2-[(3-bromophenyl)methoxy]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccccc3OCc3cccc(Br)c3)cn2)CC1
InChIInChI=1S/C24H25BrN4O2/c1-28-11-13-29(14-12-28)23-10-9-20(16-26-23)27-24(30)21-7-2-3-8-22(21)31-17-18-5-4-6-19(25)15-18/h2-10,15-16H,11-14,17H2,1H3,(H,27,30)
InChIKeyXAHFQLBLXMVREU-UHFFFAOYSA-N
XLogP4.43
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide
CID 16547793
2-[(3-bromophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 43000565
2-[(3-bromophenyl)methoxy]-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 26196212
2-[(3-bromophenyl)methoxy]-N-methoxybenzamide
CID 33104537
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(methylsulfinylmethyl)benzamide
CID 18153700
2-[(3-bromophenyl)methoxy]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 56827840
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide
CID 26126263
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 25396665
2-[2-(dimethylamino)ethoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 55728637
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30548406
N-[6-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-methylbenzamide
CID 42857024
2-(3-bromophenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113040272

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide (CID 24658178) is 2-[(3-bromophenyl)methoxy]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide is CN1CCN(c2ccc(NC(=O)c3ccccc3OCc3cccc(Br)c3)cn2)CC1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide?
The InChIKey is XAHFQLBLXMVREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN4O2/c1-28-11-13-29(14-12-28)23-10-9-20(16-26-23)27-24(30)21-7-2-3-8-22(21)31-17-18-5-4-6-19(25)15-18/h2-10,15-16H,11-14,17H2,1H3,(H,27,30).
What are the key properties of 2-[(3-bromophenyl)methoxy]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide?
2-[(3-bromophenyl)methoxy]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide has a molecular weight of 481.39 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 24658178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).