3,5-diiodo-1-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]pyridin-4-one

C12H14I2N2O3 — CID 47415570

IUPAC3,5-diiodo-1-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]pyridin-4-one
SMILESCC1COCCN1C(=O)Cn1cc(I)c(=O)c(I)c1
InChIInChI=1S/C12H14I2N2O3/c1-8-7-19-3-2-16(8)11(17)6-15-4-9(13)12(18)10(14)5-15/h4-5,8H,2-3,6-7H2,1H3
InChIKeyQBZHODYNZFOXFI-UHFFFAOYSA-N
MW488.06 g/mol
LogP1.30
Rot. Bonds2

About 3,5-diiodo-1-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]pyridin-4-one

3,5-diiodo-1-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]pyridin-4-one (PubChem CID 47415570) has the molecular formula C12H14I2N2O3 and a molecular weight of 488.06 g/mol. Its IUPAC name is 3,5-diiodo-1-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]pyridin-4-one.

Molecular Properties

Compound Name3,5-diiodo-1-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]pyridin-4-one
PubChem CID47415570
Molecular FormulaC12H14I2N2O3
Molecular Weight488.06 g/mol
Exact Mass487.91
IUPAC Name3,5-diiodo-1-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]pyridin-4-one
SMILESCC1COCCN1C(=O)Cn1cc(I)c(=O)c(I)c1
InChIInChI=1S/C12H14I2N2O3/c1-8-7-19-3-2-16(8)11(17)6-15-4-9(13)12(18)10(14)5-15/h4-5,8H,2-3,6-7H2,1H3
InChIKeyQBZHODYNZFOXFI-UHFFFAOYSA-N
XLogP1.30
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.06
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethyl]-1,2-dihydropyrimidin-4-one
CID 130179951
1-[(3R)-3-methylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone
CID 94095786
2-(3-aminopyrazol-1-yl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone
CID 94355301
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone
CID 43542226
1-(3-methylmorpholin-4-yl)-3-sulfanylpropan-1-one
CID 107022927
2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 94095579
4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 93111675
2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid
CID 106773928
4-amino-N-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 106774568
3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one
CID 110631026
1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione
CID 110309820

Frequently Asked Questions

What is the IUPAC name of 3,5-diiodo-1-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]pyridin-4-one?
The IUPAC name of 3,5-diiodo-1-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]pyridin-4-one (CID 47415570) is 3,5-diiodo-1-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]pyridin-4-one.
What is the SMILES notation for 3,5-diiodo-1-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]pyridin-4-one?
The canonical SMILES for 3,5-diiodo-1-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]pyridin-4-one is CC1COCCN1C(=O)Cn1cc(I)c(=O)c(I)c1.
What is the InChIKey of 3,5-diiodo-1-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]pyridin-4-one?
The InChIKey is QBZHODYNZFOXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14I2N2O3/c1-8-7-19-3-2-16(8)11(17)6-15-4-9(13)12(18)10(14)5-15/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 3,5-diiodo-1-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]pyridin-4-one?
3,5-diiodo-1-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]pyridin-4-one has a molecular weight of 488.06 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diiodo-1-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]pyridin-4-one is sourced from PubChem (CID 47415570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).