7-bromo-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide

C20H20BrN3O3 — CID 55714096

IUPAC7-bromo-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
SMILESCC1CN(c2ccc(CNC(=O)c3cc4cccc(Br)c4o3)cn2)CCO1
InChIInChI=1S/C20H20BrN3O3/c1-13-12-24(7-8-26-13)18-6-5-14(10-22-18)11-23-20(25)17-9-15-3-2-4-16(21)19(15)27-17/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,23,25)
InChIKeyQLKXDXFDFYDING-UHFFFAOYSA-N
MW430.30 g/mol
LogP3.75
Rot. Bonds4

About 7-bromo-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide

7-bromo-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 55714096) has the molecular formula C20H20BrN3O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is 7-bromo-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID55714096
Molecular FormulaC20H20BrN3O3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC Name7-bromo-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
SMILESCC1CN(c2ccc(CNC(=O)c3cc4cccc(Br)c4o3)cn2)CCO1
InChIInChI=1S/C20H20BrN3O3/c1-13-12-24(7-8-26-13)18-6-5-14(10-22-18)11-23-20(25)17-9-15-3-2-4-16(21)19(15)27-17/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,23,25)
InChIKeyQLKXDXFDFYDING-UHFFFAOYSA-N
XLogP3.75
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 51080809
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(sulfamoylmethyl)benzamide
CID 47085928
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
CID 55713870
1-(3-chlorophenyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94075682
3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid
CID 122030335
1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94068034
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55779817
1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51081215
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119846618
4-acetyl-3,5-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 55725322
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide
CID 119846586
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide (CID 55714096) is 7-bromo-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide is CC1CN(c2ccc(CNC(=O)c3cc4cccc(Br)c4o3)cn2)CCO1.
What is the InChIKey of 7-bromo-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is QLKXDXFDFYDING-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3/c1-13-12-24(7-8-26-13)18-6-5-14(10-22-18)11-23-20(25)17-9-15-3-2-4-16(21)19(15)27-17/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,23,25).
What are the key properties of 7-bromo-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide?
7-bromo-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 430.30 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55714096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).