5-bromo-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide

C18H16BrN3O3 — CID 55651490

IUPAC5-bromo-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cn1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C18H16BrN3O3/c19-13-1-3-15-12(9-13)10-16(25-15)18(23)21-17-4-2-14(11-20-17)22-5-7-24-8-6-22/h1-4,9-11H,5-8H2,(H,20,21,23)
InChIKeyWCRMVLZUCZTUGK-UHFFFAOYSA-N
MW402.25 g/mol
LogP3.68
Rot. Bonds3

About 5-bromo-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide

5-bromo-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide (PubChem CID 55651490) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is 5-bromo-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide
PubChem CID55651490
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC Name5-bromo-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cn1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C18H16BrN3O3/c19-13-1-3-15-12(9-13)10-16(25-15)18(23)21-17-4-2-14(11-20-17)22-5-7-24-8-6-22/h1-4,9-11H,5-8H2,(H,20,21,23)
InChIKeyWCRMVLZUCZTUGK-UHFFFAOYSA-N
XLogP3.68
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 134053222
2-(6-bromonaphthalen-2-yl)oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 55823377
N-(5-morpholin-4-yl-2-pyridinyl)-2-oxochromene-3-carboxamide
CID 47020558
2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide
CID 33447939
3,4,5,6-tetrachloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-2-carboxamide
CID 56573813
3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 38139828
4-fluoro-3,5-dimethyl-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 146084918
5-bromo-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 78868141
5-bromo-2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494211
5-methoxy-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-3-carboxamide
CID 55823376
2-amino-N-(5-morpholin-4-yl-2-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797645
N-[4-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55540208

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide (CID 55651490) is 5-bromo-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide is O=C(Nc1ccc(N2CCOCC2)cn1)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide?
The InChIKey is WCRMVLZUCZTUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c19-13-1-3-15-12(9-13)10-16(25-15)18(23)21-17-4-2-14(11-20-17)22-5-7-24-8-6-22/h1-4,9-11H,5-8H2,(H,20,21,23).
What are the key properties of 5-bromo-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide?
5-bromo-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide has a molecular weight of 402.25 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55651490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).