3-bromo-1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-2-one

C11H15BrN2O2 — CID 114760444

IUPAC3-bromo-1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-2-one
SMILESO=c1c(Br)cccn1CC(O)CNC1CC1
InChIInChI=1S/C11H15BrN2O2/c12-10-2-1-5-14(11(10)16)7-9(15)6-13-8-3-4-8/h1-2,5,8-9,13,15H,3-4,6-7H2
InChIKeyHLCDEANASFHDIY-UHFFFAOYSA-N
MW287.16 g/mol
LogP0.72
Rot. Bonds5

About 3-bromo-1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-2-one

3-bromo-1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-2-one (PubChem CID 114760444) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 3-bromo-1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-2-one
PubChem CID114760444
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name3-bromo-1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-2-one
SMILESO=c1c(Br)cccn1CC(O)CNC1CC1
InChIInChI=1S/C11H15BrN2O2/c12-10-2-1-5-14(11(10)16)7-9(15)6-13-8-3-4-8/h1-2,5,8-9,13,15H,3-4,6-7H2
InChIKeyHLCDEANASFHDIY-UHFFFAOYSA-N
XLogP0.72
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-1-[3-(ethylamino)-2-hydroxypropyl]pyridin-2-one
CID 114760449
3-bromo-1-(3-chloro-2-hydroxypropyl)pyridin-2-one
CID 114760414
5-[3-(cyclopropylamino)-2-hydroxypropyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734863
5-bromo-3-[3-(cyclopropylamino)-2-hydroxypropyl]-2-methylpyrimidin-4-one
CID 66310491
1-[3-(cyclopropylamino)-2-hydroxypropyl]azepane-2,7-dione
CID 43447627
3-bromo-1-(iodomethyl)pyridin-2-one
CID 172778363
3-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyridin-2-one
CID 114761550
3-[3-(cyclopropylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43165980
1-(cyclopropylamino)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 43165764
2-(3-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide
CID 114761115
3-bromo-1-[3-methyl-2-(sulfanylmethyl)butyl]pyridin-2-one
CID 114761633
3-bromo-1-[2-[(2-methylcyclohexyl)amino]ethyl]pyridin-2-one
CID 114761535

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-2-one (CID 114760444) is 3-bromo-1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-2-one is O=c1c(Br)cccn1CC(O)CNC1CC1.
What is the InChIKey of 3-bromo-1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-2-one?
The InChIKey is HLCDEANASFHDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c12-10-2-1-5-14(11(10)16)7-9(15)6-13-8-3-4-8/h1-2,5,8-9,13,15H,3-4,6-7H2.
What are the key properties of 3-bromo-1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-2-one?
3-bromo-1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-2-one has a molecular weight of 287.16 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-2-one is sourced from PubChem (CID 114760444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).