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

C13H15BrClN3O3 — CID 115603657

IUPAC5-bromo-2-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cc(Br)cnc1Cl)C(=O)N1CCOCC1
InChIInChI=1S/C13H15BrClN3O3/c1-8(13(20)18-2-4-21-5-3-18)17-12(19)10-6-9(14)7-16-11(10)15/h6-8H,2-5H2,1H3,(H,17,19)
InChIKeyGUTUPLXKZIXBDD-UHFFFAOYSA-N
MW376.64 g/mol
LogP1.47
Rot. Bonds3

About 5-bromo-2-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide

5-bromo-2-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide (PubChem CID 115603657) has the molecular formula C13H15BrClN3O3 and a molecular weight of 376.64 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide
PubChem CID115603657
Molecular FormulaC13H15BrClN3O3
Molecular Weight376.64 g/mol
Exact Mass375.00
IUPAC Name5-bromo-2-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cc(Br)cnc1Cl)C(=O)N1CCOCC1
InChIInChI=1S/C13H15BrClN3O3/c1-8(13(20)18-2-4-21-5-3-18)17-12(19)10-6-9(14)7-16-11(10)15/h6-8H,2-5H2,1H3,(H,17,19)
InChIKeyGUTUPLXKZIXBDD-UHFFFAOYSA-N
XLogP1.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.64
LogP ≤ 51.47
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

3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide
CID 115667153
6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide
CID 115669874
3-bromo-5-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
CID 104852991
3-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-2-carboxamide
CID 107519294
(2S,3R)-2-[(5-bromo-2-chloropyridine-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 114037234
N-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide
CID 115664789
2,3-difluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
CID 115605200
5-bromo-2-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 78991392
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide
CID 95018401
N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxochromene-3-carboxamide
CID 94813486
5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 103919732
2,5-dibromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 114372812

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide (CID 115603657) is 5-bromo-2-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide is CC(NC(=O)c1cc(Br)cnc1Cl)C(=O)N1CCOCC1.
What is the InChIKey of 5-bromo-2-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide?
The InChIKey is GUTUPLXKZIXBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3O3/c1-8(13(20)18-2-4-21-5-3-18)17-12(19)10-6-9(14)7-16-11(10)15/h6-8H,2-5H2,1H3,(H,17,19).
What are the key properties of 5-bromo-2-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide?
5-bromo-2-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide has a molecular weight of 376.64 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 115603657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).