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

C23H24BrN3O3 — CID 71732078

IUPAC4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one
SMILESCc1cc(CN(C)C)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O
InChIInChI=1S/C23H24BrN3O3/c1-16-10-17(13-26(2)3)4-7-21(16)22(28)14-27-9-8-20(11-23(27)29)30-15-19-6-5-18(24)12-25-19/h4-12H,13-15H2,1-3H3
InChIKeyGGDSBPMYJDVKAK-UHFFFAOYSA-N
MW470.37 g/mol
LogP3.84
Rot. Bonds8

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

4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one (PubChem CID 71732078) has the molecular formula C23H24BrN3O3 and a molecular weight of 470.37 g/mol. Its IUPAC name is 4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one
PubChem CID71732078
Molecular FormulaC23H24BrN3O3
Molecular Weight470.37 g/mol
Exact Mass469.10
IUPAC Name4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one
SMILESCc1cc(CN(C)C)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O
InChIInChI=1S/C23H24BrN3O3/c1-16-10-17(13-26(2)3)4-7-21(16)22(28)14-27-9-8-20(11-23(27)29)30-15-19-6-5-18(24)12-25-19/h4-12H,13-15H2,1-3H3
InChIKeyGGDSBPMYJDVKAK-UHFFFAOYSA-N
XLogP3.84
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.37
LogP ≤ 53.84
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-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one (CID 71732078) is 4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one is Cc1cc(CN(C)C)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O.
What is the InChIKey of 4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one?
The InChIKey is GGDSBPMYJDVKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O3/c1-16-10-17(13-26(2)3)4-7-21(16)22(28)14-27-9-8-20(11-23(27)29)30-15-19-6-5-18(24)12-25-19/h4-12H,13-15H2,1-3H3.
What are the key properties of 4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one?
4-[(5-bromo-2-pyridinyl)methoxy]-1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one has a molecular weight of 470.37 g/mol, XLogP of 3.84, 8 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-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 71732078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).