4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[[ethyl(methyl)amino]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one

C24H26BrN3O3 — CID 71730266

IUPAC4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[[ethyl(methyl)amino]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one
SMILESCCN(C)Cc1ccc(C(=O)Cn2ccc(OCc3ccc(Br)cn3)cc2=O)c(C)c1
InChIInChI=1S/C24H26BrN3O3/c1-4-27(3)14-18-5-8-22(17(2)11-18)23(29)15-28-10-9-21(12-24(28)30)31-16-20-7-6-19(25)13-26-20/h5-13H,4,14-16H2,1-3H3
InChIKeyCCCNCBWICZDWSG-UHFFFAOYSA-N
MW484.39 g/mol
LogP4.23
Rot. Bonds9

About 4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[[ethyl(methyl)amino]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one

4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[[ethyl(methyl)amino]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one (PubChem CID 71730266) has the molecular formula C24H26BrN3O3 and a molecular weight of 484.39 g/mol. Its IUPAC name is 4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[[ethyl(methyl)amino]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[[ethyl(methyl)amino]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one
PubChem CID71730266
Molecular FormulaC24H26BrN3O3
Molecular Weight484.39 g/mol
Exact Mass483.12
IUPAC Name4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[[ethyl(methyl)amino]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one
SMILESCCN(C)Cc1ccc(C(=O)Cn2ccc(OCc3ccc(Br)cn3)cc2=O)c(C)c1
InChIInChI=1S/C24H26BrN3O3/c1-4-27(3)14-18-5-8-22(17(2)11-18)23(29)15-28-10-9-21(12-24(28)30)31-16-20-7-6-19(25)13-26-20/h5-13H,4,14-16H2,1-3H3
InChIKeyCCCNCBWICZDWSG-UHFFFAOYSA-N
XLogP4.23
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[[ethyl(methyl)amino]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[[ethyl(methyl)amino]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one (CID 71730266) is 4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[[ethyl(methyl)amino]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[[ethyl(methyl)amino]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[[ethyl(methyl)amino]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one is CCN(C)Cc1ccc(C(=O)Cn2ccc(OCc3ccc(Br)cn3)cc2=O)c(C)c1.
What is the InChIKey of 4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[[ethyl(methyl)amino]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one?
The InChIKey is CCCNCBWICZDWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrN3O3/c1-4-27(3)14-18-5-8-22(17(2)11-18)23(29)15-28-10-9-21(12-24(28)30)31-16-20-7-6-19(25)13-26-20/h5-13H,4,14-16H2,1-3H3.
What are the key properties of 4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[[ethyl(methyl)amino]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one?
4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[[ethyl(methyl)amino]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one has a molecular weight of 484.39 g/mol, XLogP of 4.23, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[[ethyl(methyl)amino]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 71730266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).