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

C23H24FN3O3 — CID 91759552

IUPAC1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one
SMILESCc1cc(CN(C)C)ccc1C(=O)Cn1ccc(OCc2ccc(F)cn2)cc1=O
InChIInChI=1S/C23H24FN3O3/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
InChIKeyQKLFVKUALMUOSG-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.21
Rot. Bonds8

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

1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one (PubChem CID 91759552) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one
PubChem CID91759552
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one
SMILESCc1cc(CN(C)C)ccc1C(=O)Cn1ccc(OCc2ccc(F)cn2)cc1=O
InChIInChI=1S/C23H24FN3O3/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
InChIKeyQKLFVKUALMUOSG-UHFFFAOYSA-N
XLogP3.21
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one?
The IUPAC name of 1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one (CID 91759552) is 1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one is Cc1cc(CN(C)C)ccc1C(=O)Cn1ccc(OCc2ccc(F)cn2)cc1=O.
What is the InChIKey of 1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one?
The InChIKey is QKLFVKUALMUOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/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 1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one?
1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one has a molecular weight of 409.46 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one is sourced from PubChem (CID 91759552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).