2-(2-bromo-4-methylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide

C22H28BrN3O2 — CID 55846730

IUPAC2-(2-bromo-4-methylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide
SMILESCc1ccc(OC(C)C(=O)NCc2ccc(N3CCC(C)CC3)nc2)c(Br)c1
InChIInChI=1S/C22H28BrN3O2/c1-15-8-10-26(11-9-15)21-7-5-18(13-24-21)14-25-22(27)17(3)28-20-6-4-16(2)12-19(20)23/h4-7,12-13,15,17H,8-11,14H2,1-3H3,(H,25,27)
InChIKeyGSXTWSSMKNMFCD-UHFFFAOYSA-N
MW446.39 g/mol
LogP4.47
Rot. Bonds6

About 2-(2-bromo-4-methylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide

2-(2-bromo-4-methylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide (PubChem CID 55846730) has the molecular formula C22H28BrN3O2 and a molecular weight of 446.39 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide
PubChem CID55846730
Molecular FormulaC22H28BrN3O2
Molecular Weight446.39 g/mol
Exact Mass445.14
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide
SMILESCc1ccc(OC(C)C(=O)NCc2ccc(N3CCC(C)CC3)nc2)c(Br)c1
InChIInChI=1S/C22H28BrN3O2/c1-15-8-10-26(11-9-15)21-7-5-18(13-24-21)14-25-22(27)17(3)28-20-6-4-16(2)12-19(20)23/h4-7,12-13,15,17H,8-11,14H2,1-3H3,(H,25,27)
InChIKeyGSXTWSSMKNMFCD-UHFFFAOYSA-N
XLogP4.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-4-methylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide with MolForge

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Related Compounds

2-(3-fluorophenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide
CID 86995978
2-(2-bromo-4-methylphenoxy)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 55853527
2-[(3-methylphenyl)carbamoylamino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 87045751
2-(2-bromo-4-methylphenoxy)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide
CID 46492565
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
2-(2-chlorophenoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 46581557
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
CID 55779464
4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
CID 120595263
2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387
2-(3,4-dimethylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 55746761
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55054509
2-bromo-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-5-sulfamoylbenzamide
CID 55846460

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide (CID 55846730) is 2-(2-bromo-4-methylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide is Cc1ccc(OC(C)C(=O)NCc2ccc(N3CCC(C)CC3)nc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide?
The InChIKey is GSXTWSSMKNMFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrN3O2/c1-15-8-10-26(11-9-15)21-7-5-18(13-24-21)14-25-22(27)17(3)28-20-6-4-16(2)12-19(20)23/h4-7,12-13,15,17H,8-11,14H2,1-3H3,(H,25,27).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide?
2-(2-bromo-4-methylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide has a molecular weight of 446.39 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 55846730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).