4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide

C21H26BrN3O4 — CID 46487103

IUPAC4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(N3CC(C)OC(C)C3)nc2)cc(OC)c1Br
InChIInChI=1S/C21H26BrN3O4/c1-13-11-25(12-14(2)29-13)19-6-5-15(9-23-19)10-24-21(26)16-7-17(27-3)20(22)18(8-16)28-4/h5-9,13-14H,10-12H2,1-4H3,(H,24,26)
InChIKeyLIKNERXZSWSJBG-UHFFFAOYSA-N
MW464.36 g/mol
LogP3.40
Rot. Bonds6

About 4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide

4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide (PubChem CID 46487103) has the molecular formula C21H26BrN3O4 and a molecular weight of 464.36 g/mol. Its IUPAC name is 4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide
PubChem CID46487103
Molecular FormulaC21H26BrN3O4
Molecular Weight464.36 g/mol
Exact Mass463.11
IUPAC Name4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(N3CC(C)OC(C)C3)nc2)cc(OC)c1Br
InChIInChI=1S/C21H26BrN3O4/c1-13-11-25(12-14(2)29-13)19-6-5-15(9-23-19)10-24-21(26)16-7-17(27-3)20(22)18(8-16)28-4/h5-9,13-14H,10-12H2,1-4H3,(H,24,26)
InChIKeyLIKNERXZSWSJBG-UHFFFAOYSA-N
XLogP3.40
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710371
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methoxy-5-sulfamoylbenzamide
CID 55709712
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 55709939
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 86974516
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(3-ethoxy-4-methoxyphenyl)urea
CID 55794605
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 55741973
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 46487125
3-(2,3-dimethoxyphenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propanamide
CID 55710397
2-(cyclopropylmethylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide
CID 119846444
4-(cyclopropylcarbamoylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55839328
5-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55710040
3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 31007571

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide (CID 46487103) is 4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide is COc1cc(C(=O)NCc2ccc(N3CC(C)OC(C)C3)nc2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide?
The InChIKey is LIKNERXZSWSJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O4/c1-13-11-25(12-14(2)29-13)19-6-5-15(9-23-19)10-24-21(26)16-7-17(27-3)20(22)18(8-16)28-4/h5-9,13-14H,10-12H2,1-4H3,(H,24,26).
What are the key properties of 4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide?
4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide has a molecular weight of 464.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 46487103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).