5-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-methyl-1-benzofuran-2-carboxamide

C22H24BrN3O3 — CID 55710040

IUPAC5-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc(N3CC(C)OC(C)C3)nc2)oc2ccc(Br)cc12
InChIInChI=1S/C22H24BrN3O3/c1-13-11-26(12-14(2)28-13)20-7-4-16(9-24-20)10-25-22(27)21-15(3)18-8-17(23)5-6-19(18)29-21/h4-9,13-14H,10-12H2,1-3H3,(H,25,27)
InChIKeyOGMAQDZIRPKVHL-UHFFFAOYSA-N
MW458.36 g/mol
LogP4.44
Rot. Bonds4

About 5-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-methyl-1-benzofuran-2-carboxamide

5-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 55710040) has the molecular formula C22H24BrN3O3 and a molecular weight of 458.36 g/mol. Its IUPAC name is 5-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID55710040
Molecular FormulaC22H24BrN3O3
Molecular Weight458.36 g/mol
Exact Mass457.10
IUPAC Name5-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc(N3CC(C)OC(C)C3)nc2)oc2ccc(Br)cc12
InChIInChI=1S/C22H24BrN3O3/c1-13-11-26(12-14(2)28-13)20-7-4-16(9-24-20)10-25-22(27)21-15(3)18-8-17(23)5-6-19(18)29-21/h4-9,13-14H,10-12H2,1-3H3,(H,25,27)
InChIKeyOGMAQDZIRPKVHL-UHFFFAOYSA-N
XLogP4.44
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-methyl-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide
CID 46487103
5-bromo-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 852717
2-(cyclopropylmethylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide
CID 119846444
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]-4-methylsulfonylbenzamide
CID 55709939
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55777031
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-phenylpropanamide
CID 55710399
1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94025139
1-cyclohexyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55962247
(2S)-2-amino-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119846441
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 86974516
1-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-N-methylmethanamine
CID 104959494

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-methyl-1-benzofuran-2-carboxamide (CID 55710040) is 5-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2ccc(N3CC(C)OC(C)C3)nc2)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is OGMAQDZIRPKVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O3/c1-13-11-26(12-14(2)28-13)20-7-4-16(9-24-20)10-25-22(27)21-15(3)18-8-17(23)5-6-19(18)29-21/h4-9,13-14H,10-12H2,1-3H3,(H,25,27).
What are the key properties of 5-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-methyl-1-benzofuran-2-carboxamide?
5-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 458.36 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55710040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).