3-bromo-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide

C17H18BrN3O2 — CID 51308810

IUPAC3-bromo-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccc(N2CCOCC2)nc1)c1cccc(Br)c1
InChIInChI=1S/C17H18BrN3O2/c18-15-3-1-2-14(10-15)17(22)20-12-13-4-5-16(19-11-13)21-6-8-23-9-7-21/h1-5,10-11H,6-9,12H2,(H,20,22)
InChIKeyFWROLEMTNHXKRV-UHFFFAOYSA-N
MW376.25 g/mol
LogP2.61
Rot. Bonds4

About 3-bromo-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide

3-bromo-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide (PubChem CID 51308810) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 3-bromo-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
PubChem CID51308810
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name3-bromo-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccc(N2CCOCC2)nc1)c1cccc(Br)c1
InChIInChI=1S/C17H18BrN3O2/c18-15-3-1-2-14(10-15)17(22)20-12-13-4-5-16(19-11-13)21-6-8-23-9-7-21/h1-5,10-11H,6-9,12H2,(H,20,22)
InChIKeyFWROLEMTNHXKRV-UHFFFAOYSA-N
XLogP2.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-bromo-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide (CID 51308810) is 3-bromo-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-bromo-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide is O=C(NCc1ccc(N2CCOCC2)nc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is FWROLEMTNHXKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c18-15-3-1-2-14(10-15)17(22)20-12-13-4-5-16(19-11-13)21-6-8-23-9-7-21/h1-5,10-11H,6-9,12H2,(H,20,22).
What are the key properties of 3-bromo-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
3-bromo-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 376.25 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 51308810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).