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

C13H16BrN3O3 — CID 107519294

IUPAC3-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ncccc1Br)C(=O)N1CCOCC1
InChIInChI=1S/C13H16BrN3O3/c1-9(13(19)17-5-7-20-8-6-17)16-12(18)11-10(14)3-2-4-15-11/h2-4,9H,5-8H2,1H3,(H,16,18)
InChIKeyIRHCYMSNOWIKHR-UHFFFAOYSA-N
MW342.19 g/mol
LogP0.82
Rot. Bonds3

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

3-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-2-carboxamide (PubChem CID 107519294) has the molecular formula C13H16BrN3O3 and a molecular weight of 342.19 g/mol. Its IUPAC name is 3-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-2-carboxamide
PubChem CID107519294
Molecular FormulaC13H16BrN3O3
Molecular Weight342.19 g/mol
Exact Mass341.04
IUPAC Name3-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ncccc1Br)C(=O)N1CCOCC1
InChIInChI=1S/C13H16BrN3O3/c1-9(13(19)17-5-7-20-8-6-17)16-12(18)11-10(14)3-2-4-15-11/h2-4,9H,5-8H2,1H3,(H,16,18)
InChIKeyIRHCYMSNOWIKHR-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

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Related Compounds

3-bromo-N-(2-morpholin-4-yl-2-oxoethyl)pyridine-2-carboxamide
CID 166178525
6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide
CID 115669874
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide
CID 95018401
2-[(3-methyl-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 113408683
2-[(8-bromoquinolin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 133447521
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519719
3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519692
2-[(3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112551724
3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide
CID 107517908
2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81383364
5-bromo-2-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide
CID 115603657
2-[(3-bromo-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 104777234

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-2-carboxamide (CID 107519294) is 3-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-2-carboxamide is CC(NC(=O)c1ncccc1Br)C(=O)N1CCOCC1.
What is the InChIKey of 3-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-2-carboxamide?
The InChIKey is IRHCYMSNOWIKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3/c1-9(13(19)17-5-7-20-8-6-17)16-12(18)11-10(14)3-2-4-15-11/h2-4,9H,5-8H2,1H3,(H,16,18).
What are the key properties of 3-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-2-carboxamide?
3-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-2-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 3-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 107519294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).