3,5-dibromo-1-[2-(pentan-3-ylamino)ethyl]pyridin-2-one

C12H18Br2N2O — CID 113413610

IUPAC3,5-dibromo-1-[2-(pentan-3-ylamino)ethyl]pyridin-2-one
SMILESCCC(CC)NCCn1cc(Br)cc(Br)c1=O
InChIInChI=1S/C12H18Br2N2O/c1-3-10(4-2)15-5-6-16-8-9(13)7-11(14)12(16)17/h7-8,10,15H,3-6H2,1-2H3
InChIKeyRPRFQBZFIUOPET-UHFFFAOYSA-N
MW366.10 g/mol
LogP3.15
Rot. Bonds6

About 3,5-dibromo-1-[2-(pentan-3-ylamino)ethyl]pyridin-2-one

3,5-dibromo-1-[2-(pentan-3-ylamino)ethyl]pyridin-2-one (PubChem CID 113413610) has the molecular formula C12H18Br2N2O and a molecular weight of 366.10 g/mol. Its IUPAC name is 3,5-dibromo-1-[2-(pentan-3-ylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3,5-dibromo-1-[2-(pentan-3-ylamino)ethyl]pyridin-2-one
PubChem CID113413610
Molecular FormulaC12H18Br2N2O
Molecular Weight366.10 g/mol
Exact Mass363.98
IUPAC Name3,5-dibromo-1-[2-(pentan-3-ylamino)ethyl]pyridin-2-one
SMILESCCC(CC)NCCn1cc(Br)cc(Br)c1=O
InChIInChI=1S/C12H18Br2N2O/c1-3-10(4-2)15-5-6-16-8-9(13)7-11(14)12(16)17/h7-8,10,15H,3-6H2,1-2H3
InChIKeyRPRFQBZFIUOPET-UHFFFAOYSA-N
XLogP3.15
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.10
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-methyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyridin-2-one
CID 83133309
5-bromo-1-[2-(ethylamino)ethyl]-3-methylpyridin-2-one
CID 83130817
ethyl 4-(3,5-dibromo-2-oxo-1-pyridinyl)-3-oxobutanoate
CID 113413565
3,5-dibromo-1-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-one
CID 114531001
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-3-amine
CID 62566217
3-bromo-5-nitro-1-[2-(propylamino)ethyl]pyridin-2-one
CID 113420333
3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one
CID 3026522
3,5-dibromo-1-[(2,6-dimethylphenyl)methyl]pyridin-2-one
CID 113411875
5-bromo-3-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one
CID 83133226
5-bromo-2-oxo-1-propylpyridine-3-carboxylic acid
CID 131629778
5-bromo-3-methyl-1-[2-(3-methylanilino)ethyl]pyridin-2-one
CID 83133830
3,5-dibromo-1-(3-bromo-2-phenylpropyl)pyridin-2-one
CID 113413559

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-[2-(pentan-3-ylamino)ethyl]pyridin-2-one?
The IUPAC name of 3,5-dibromo-1-[2-(pentan-3-ylamino)ethyl]pyridin-2-one (CID 113413610) is 3,5-dibromo-1-[2-(pentan-3-ylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 3,5-dibromo-1-[2-(pentan-3-ylamino)ethyl]pyridin-2-one?
The canonical SMILES for 3,5-dibromo-1-[2-(pentan-3-ylamino)ethyl]pyridin-2-one is CCC(CC)NCCn1cc(Br)cc(Br)c1=O.
What is the InChIKey of 3,5-dibromo-1-[2-(pentan-3-ylamino)ethyl]pyridin-2-one?
The InChIKey is RPRFQBZFIUOPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2N2O/c1-3-10(4-2)15-5-6-16-8-9(13)7-11(14)12(16)17/h7-8,10,15H,3-6H2,1-2H3.
What are the key properties of 3,5-dibromo-1-[2-(pentan-3-ylamino)ethyl]pyridin-2-one?
3,5-dibromo-1-[2-(pentan-3-ylamino)ethyl]pyridin-2-one has a molecular weight of 366.10 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-[2-(pentan-3-ylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 113413610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).