2-[(3-bromo-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one

C12H16BrN3O2 — CID 104777234

IUPAC2-[(3-bromo-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(Nc1ccncc1Br)C(=O)N1CCOCC1
InChIInChI=1S/C12H16BrN3O2/c1-9(12(17)16-4-6-18-7-5-16)15-11-2-3-14-8-10(11)13/h2-3,8-9H,4-7H2,1H3,(H,14,15)
InChIKeyADMSWZUEUSPREQ-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.50
Rot. Bonds3

About 2-[(3-bromo-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one

2-[(3-bromo-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 104777234) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 2-[(3-bromo-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[(3-bromo-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID104777234
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name2-[(3-bromo-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(Nc1ccncc1Br)C(=O)N1CCOCC1
InChIInChI=1S/C12H16BrN3O2/c1-9(12(17)16-4-6-18-7-5-16)15-11-2-3-14-8-10(11)13/h2-3,8-9H,4-7H2,1H3,(H,14,15)
InChIKeyADMSWZUEUSPREQ-UHFFFAOYSA-N
XLogP1.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Bromopyridin-4-yl)morpholine
CID 66557862
N'-(2-bromo-4-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 155548451
2-[(3-Bromo-4-pyridinyl)carbamoyloxy]ethyl-trimethylazanium iodide
CID 44446106
ethyl N-[1-(5-bromo-3-pyridinyl)piperidin-3-yl]carbamate
CID 71871236
N-[1-(5-bromo-3-pyridinyl)piperidin-3-yl]butanamide
CID 71975691
2-(dimethylamino)ethyl N-(3-bromo-4-pyridinyl)carbamate;dihydrochloride
CID 90665034
N-cyclohexyl-2-(3-ethoxy-2-oxopyrido[3,4-b]pyrazin-1-yl)butanamide
CID 45106947
N-(5-bromo-2-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]acetamide
CID 33714004
2-[(5-Bromopyridin-3-yl)amino]-1-piperidin-1-ylethanone
CID 71862496
1-[4-[(5-Bromo-3-pyridinyl)amino]piperidin-1-yl]-2-methoxyethanone
CID 71871240
Ethyl 4-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate
CID 71871282
2-[(3-Chloro-4-pyridinyl)amino]-3-methyl-1-morpholin-4-ylbutan-1-one
CID 75394917

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[(3-bromo-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one (CID 104777234) is 2-[(3-bromo-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[(3-bromo-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[(3-bromo-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one is CC(Nc1ccncc1Br)C(=O)N1CCOCC1.
What is the InChIKey of 2-[(3-bromo-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is ADMSWZUEUSPREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-9(12(17)16-4-6-18-7-5-16)15-11-2-3-14-8-10(11)13/h2-3,8-9H,4-7H2,1H3,(H,14,15).
What are the key properties of 2-[(3-bromo-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one?
2-[(3-bromo-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 314.18 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 104777234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).