5-bromo-3-methyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-one

C13H14BrN3O — CID 83133392

IUPAC5-bromo-3-methyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-one
SMILESCNc1cccc(Cn2cc(Br)cc(C)c2=O)n1
InChIInChI=1S/C13H14BrN3O/c1-9-6-10(14)7-17(13(9)18)8-11-4-3-5-12(15-2)16-11/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyTZGOPAQOVDNTLF-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.40
Rot. Bonds3

About 5-bromo-3-methyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-one

5-bromo-3-methyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-one (PubChem CID 83133392) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-bromo-3-methyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-methyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-one
PubChem CID83133392
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name5-bromo-3-methyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-one
SMILESCNc1cccc(Cn2cc(Br)cc(C)c2=O)n1
InChIInChI=1S/C13H14BrN3O/c1-9-6-10(14)7-17(13(9)18)8-11-4-3-5-12(15-2)16-11/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyTZGOPAQOVDNTLF-UHFFFAOYSA-N
XLogP2.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-one?
The IUPAC name of 5-bromo-3-methyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-one (CID 83133392) is 5-bromo-3-methyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-3-methyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-3-methyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-one is CNc1cccc(Cn2cc(Br)cc(C)c2=O)n1.
What is the InChIKey of 5-bromo-3-methyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-one?
The InChIKey is TZGOPAQOVDNTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-9-6-10(14)7-17(13(9)18)8-11-4-3-5-12(15-2)16-11/h3-7H,8H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-3-methyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-one?
5-bromo-3-methyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-one has a molecular weight of 308.18 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-one is sourced from PubChem (CID 83133392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).