3-[(5-bromo-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one

C12H16BrN3O2 — CID 112692551

IUPAC3-[(5-bromo-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCNc1ccc(Br)cn1)N1CCOCC1
InChIInChI=1S/C12H16BrN3O2/c13-10-1-2-11(15-9-10)14-4-3-12(17)16-5-7-18-8-6-16/h1-2,9H,3-8H2,(H,14,15)
InChIKeyZUMWVQQPNNAMRY-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.50
Rot. Bonds4

About 3-[(5-bromo-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one

3-[(5-bromo-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 112692551) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 3-[(5-bromo-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(5-bromo-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID112692551
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name3-[(5-bromo-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCNc1ccc(Br)cn1)N1CCOCC1
InChIInChI=1S/C12H16BrN3O2/c13-10-1-2-11(15-9-10)14-4-3-12(17)16-5-7-18-8-6-16/h1-2,9H,3-8H2,(H,14,15)
InChIKeyZUMWVQQPNNAMRY-UHFFFAOYSA-N
XLogP1.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

6-[(3-morpholin-4-yl-3-oxopropyl)amino]pyridine-3-carboxamide
CID 115579964
3-[(5-bromo-2-pyridinyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115626598
3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 104923813
1-morpholin-4-yl-3-(pyridazin-3-ylamino)propan-1-one
CID 112695183
3-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 115669026
2-[(3-morpholin-4-yl-3-oxopropyl)amino]pyridine-3-carboxamide
CID 115578372
3-[(5-bromopyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 115619264
6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 115576194
3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one
CID 136519955
3-[(3-chloro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112697162
3-[(5-chloropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 105369598
6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 112685210

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(5-bromo-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one (CID 112692551) is 3-[(5-bromo-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(5-bromo-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(5-bromo-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one is O=C(CCNc1ccc(Br)cn1)N1CCOCC1.
What is the InChIKey of 3-[(5-bromo-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is ZUMWVQQPNNAMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c13-10-1-2-11(15-9-10)14-4-3-12(17)16-5-7-18-8-6-16/h1-2,9H,3-8H2,(H,14,15).
What are the key properties of 3-[(5-bromo-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one?
3-[(5-bromo-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 314.18 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 112692551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).