2-(4-bromophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide

C18H20BrN3O3 — CID 51133314

IUPAC2-(4-bromophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
SMILESCN1CCOC(CNC(=O)c2cccnc2Oc2ccc(Br)cc2)C1
InChIInChI=1S/C18H20BrN3O3/c1-22-9-10-24-15(12-22)11-21-17(23)16-3-2-8-20-18(16)25-14-6-4-13(19)5-7-14/h2-8,15H,9-12H2,1H3,(H,21,23)
InChIKeyZCZPEUUCJQFIAR-UHFFFAOYSA-N
MW406.28 g/mol
LogP2.70
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide

2-(4-bromophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 51133314) has the molecular formula C18H20BrN3O3 and a molecular weight of 406.28 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
PubChem CID51133314
Molecular FormulaC18H20BrN3O3
Molecular Weight406.28 g/mol
Exact Mass405.07
IUPAC Name2-(4-bromophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
SMILESCN1CCOC(CNC(=O)c2cccnc2Oc2ccc(Br)cc2)C1
InChIInChI=1S/C18H20BrN3O3/c1-22-9-10-24-15(12-22)11-21-17(23)16-3-2-8-20-18(16)25-14-6-4-13(19)5-7-14/h2-8,15H,9-12H2,1H3,(H,21,23)
InChIKeyZCZPEUUCJQFIAR-UHFFFAOYSA-N
XLogP2.70
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094765
N-[[(2S)-oxolan-2-yl]methyl]-2-phenoxypyridine-3-carboxamide
CID 32688545
N-(2-amino-2-methylpropyl)-2-(4-bromophenoxy)pyridine-3-carboxamide
CID 119627181
2-fluoro-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 80712225
3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2-carboxamide
CID 107522794
2-(4-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 55687355
2,6-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710223
N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 79082124
2-(4-bromophenoxy)-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119534807
5-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
CID 49094737
2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-3-nitrobenzamide
CID 103800166
2-(4-bromophenoxy)-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 56576360

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide (CID 51133314) is 2-(4-bromophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide is CN1CCOC(CNC(=O)c2cccnc2Oc2ccc(Br)cc2)C1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is ZCZPEUUCJQFIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O3/c1-22-9-10-24-15(12-22)11-21-17(23)16-3-2-8-20-18(16)25-14-6-4-13(19)5-7-14/h2-8,15H,9-12H2,1H3,(H,21,23).
What are the key properties of 2-(4-bromophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide?
2-(4-bromophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 406.28 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 51133314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).