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

N-(3,5-dibromopyridin-2-yl)-2-(morpholin-4-yl)acetamide
CID 661163
2-Acetamido-5-bromopyridine
CID 293097
2-Acetylamino-2-(5-bromo-pyridin-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester
CID 540880
N-(5-bromo-2-pyridinyl)-2-(4-morpholinyl)acetamide
CID 1237386
1-(5-Bromopyridin-2-yl)-3-butylurea
CID 2103155
N-(5-bromo-2-pyridinyl)pentanamide
CID 2292858
1-(5-Bromo-2-pyridyl)-3-(2-morpholinoethyl)thiourea
CID 3001930
N-(pyridin-2-yl)morpholine-4-carboxamide
CID 653226
N-(5-bromopyridin-2-yl)propanamide
CID 774878
4-(5-Bromopyridin-2-yl)morpholine
CID 10966724
N-(5-bromopyridin-2-yl)pent-4-enamide
CID 2265971
[4-(5-Bromo-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 38274995

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).