6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide

C13H16BrN3O3 — CID 115669874

IUPAC6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(Br)nc1)C(=O)N1CCOCC1
InChIInChI=1S/C13H16BrN3O3/c1-9(13(19)17-4-6-20-7-5-17)16-12(18)10-2-3-11(14)15-8-10/h2-3,8-9H,4-7H2,1H3,(H,16,18)
InChIKeyLVJMESVZOZKSHL-UHFFFAOYSA-N
MW342.19 g/mol
LogP0.82
Rot. Bonds3

About 6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide

6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide (PubChem CID 115669874) has the molecular formula C13H16BrN3O3 and a molecular weight of 342.19 g/mol. Its IUPAC name is 6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide
PubChem CID115669874
Molecular FormulaC13H16BrN3O3
Molecular Weight342.19 g/mol
Exact Mass341.04
IUPAC Name6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(Br)nc1)C(=O)N1CCOCC1
InChIInChI=1S/C13H16BrN3O3/c1-9(13(19)17-4-6-20-7-5-17)16-12(18)10-2-3-11(14)15-8-10/h2-3,8-9H,4-7H2,1H3,(H,16,18)
InChIKeyLVJMESVZOZKSHL-UHFFFAOYSA-N
XLogP0.82
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 95246062
3-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-2-carboxamide
CID 107519294
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 51097695
3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 110347745
3-bromo-5-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
CID 104852991
3-fluoro-4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 94817707
5-bromo-2-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide
CID 115603657
6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone
CID 160724807
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 52509087
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 52509086
6-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 66464130

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide (CID 115669874) is 6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide is CC(NC(=O)c1ccc(Br)nc1)C(=O)N1CCOCC1.
What is the InChIKey of 6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide?
The InChIKey is LVJMESVZOZKSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3/c1-9(13(19)17-4-6-20-7-5-17)16-12(18)10-2-3-11(14)15-8-10/h2-3,8-9H,4-7H2,1H3,(H,16,18).
What are the key properties of 6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide?
6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide has a molecular weight of 342.19 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 115669874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).