2-(4-bromophenoxy)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyridine-3-carboxamide

C22H26BrN3O2 — CID 56569700

IUPAC2-(4-bromophenoxy)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCC(C)=CCN1CCC(NC(=O)c2cccnc2Oc2ccc(Br)cc2)CC1
InChIInChI=1S/C22H26BrN3O2/c1-16(2)9-13-26-14-10-18(11-15-26)25-21(27)20-4-3-12-24-22(20)28-19-7-5-17(23)6-8-19/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,25,27)
InChIKeyGKGBURQCVPBIHZ-UHFFFAOYSA-N
MW444.37 g/mol
LogP4.80
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyridine-3-carboxamide

2-(4-bromophenoxy)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 56569700) has the molecular formula C22H26BrN3O2 and a molecular weight of 444.37 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID56569700
Molecular FormulaC22H26BrN3O2
Molecular Weight444.37 g/mol
Exact Mass443.12
IUPAC Name2-(4-bromophenoxy)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCC(C)=CCN1CCC(NC(=O)c2cccnc2Oc2ccc(Br)cc2)CC1
InChIInChI=1S/C22H26BrN3O2/c1-16(2)9-13-26-14-10-18(11-15-26)25-21(27)20-4-3-12-24-22(20)28-19-7-5-17(23)6-8-19/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,25,27)
InChIKeyGKGBURQCVPBIHZ-UHFFFAOYSA-N
XLogP4.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.37
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(4-bromophenoxy)pyridine-3-carboxamide
CID 56829403
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide
CID 55745402
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 49072325
N-(2-amino-2-methylpropyl)-2-(4-bromophenoxy)pyridine-3-carboxamide
CID 119627181
[2-(4-bromophenoxy)-3-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
CID 55687326
4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 22058409
2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 55514779
N-(1-methylpiperidin-4-yl)-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 91571975
2-(4-bromophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
CID 51133314
N-[1-(2-phenoxypyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 2810680
2-(4-bromophenoxy)-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119534807
2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]-N-cyclopentylpyridine-3-carboxamide
CID 53120219

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyridine-3-carboxamide (CID 56569700) is 2-(4-bromophenoxy)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyridine-3-carboxamide is CC(C)=CCN1CCC(NC(=O)c2cccnc2Oc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is GKGBURQCVPBIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN3O2/c1-16(2)9-13-26-14-10-18(11-15-26)25-21(27)20-4-3-12-24-22(20)28-19-7-5-17(23)6-8-19/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-bromophenoxy)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyridine-3-carboxamide?
2-(4-bromophenoxy)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 444.37 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 56569700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).