6-(4-bromophenoxy)-N-methyl-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride

C18H22BrCl2N3O2 — CID 119441262

IUPAC6-(4-bromophenoxy)-N-methyl-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
SMILESCN(C(=O)c1ccc(Oc2ccc(Br)cc2)nc1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C18H20BrN3O2.2ClH/c1-22(15-8-10-20-11-9-15)18(23)13-2-7-17(21-12-13)24-16-5-3-14(19)4-6-16;;/h2-7,12,15,20H,8-11H2,1H3;2*1H
InChIKeyQQYUJYJJKNMMHD-UHFFFAOYSA-N
MW463.20 g/mol
LogP4.30
Rot. Bonds4

About 6-(4-bromophenoxy)-N-methyl-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride

6-(4-bromophenoxy)-N-methyl-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride (PubChem CID 119441262) has the molecular formula C18H22BrCl2N3O2 and a molecular weight of 463.20 g/mol. Its IUPAC name is 6-(4-bromophenoxy)-N-methyl-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-(4-bromophenoxy)-N-methyl-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
PubChem CID119441262
Molecular FormulaC18H22BrCl2N3O2
Molecular Weight463.20 g/mol
Exact Mass461.03
IUPAC Name6-(4-bromophenoxy)-N-methyl-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
SMILESCN(C(=O)c1ccc(Oc2ccc(Br)cc2)nc1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C18H20BrN3O2.2ClH/c1-22(15-8-10-20-11-9-15)18(23)13-2-7-17(21-12-13)24-16-5-3-14(19)4-6-16;;/h2-7,12,15,20H,8-11H2,1H3;2*1H
InChIKeyQQYUJYJJKNMMHD-UHFFFAOYSA-N
XLogP4.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.20
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-bromophenoxy)-N-methyl-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(azepan-4-yl)-4-bromo-N-methylbenzamide
CID 104974446
4-(4-bromophenoxy)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550855
N-methyl-N-piperidin-4-yl-3-pyrazin-2-yloxybenzamide;dihydrochloride
CID 119442827
4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide
CID 119442811
3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide
CID 114022754
2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119550503
6-amino-N-methyl-N-piperidin-4-ylpyridine-3-carboxamide;tert-butyl formate
CID 174638933
N-cyclopropyl-N-methyl-4-piperidin-4-yloxybenzamide
CID 143792433
4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443676
4-bromo-N-[3-[methyl(piperidin-4-yl)amino]-3-oxopropyl]benzamide
CID 119443848
N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride
CID 119625868
6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 119388966

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)-N-methyl-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 6-(4-bromophenoxy)-N-methyl-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride (CID 119441262) is 6-(4-bromophenoxy)-N-methyl-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 6-(4-bromophenoxy)-N-methyl-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 6-(4-bromophenoxy)-N-methyl-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride is CN(C(=O)c1ccc(Oc2ccc(Br)cc2)nc1)C1CCNCC1.Cl.Cl.
What is the InChIKey of 6-(4-bromophenoxy)-N-methyl-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is QQYUJYJJKNMMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2.2ClH/c1-22(15-8-10-20-11-9-15)18(23)13-2-7-17(21-12-13)24-16-5-3-14(19)4-6-16;;/h2-7,12,15,20H,8-11H2,1H3;2*1H.
What are the key properties of 6-(4-bromophenoxy)-N-methyl-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
6-(4-bromophenoxy)-N-methyl-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 463.20 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenoxy)-N-methyl-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119441262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).