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

C23H24FN3O3 — CID 91759553

IUPAC1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one
SMILESCCNCc1ccc(C(=O)Cn2ccc(OCc3ccc(F)cn3)cc2=O)c(C)c1
InChIInChI=1S/C23H24FN3O3/c1-3-25-12-17-4-7-21(16(2)10-17)22(28)14-27-9-8-20(11-23(27)29)30-15-19-6-5-18(24)13-26-19/h4-11,13,25H,3,12,14-15H2,1-2H3
InChIKeyAWOYFPJVIUBLAJ-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.26
Rot. Bonds9

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

1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one (PubChem CID 91759553) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one
PubChem CID91759553
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one
SMILESCCNCc1ccc(C(=O)Cn2ccc(OCc3ccc(F)cn3)cc2=O)c(C)c1
InChIInChI=1S/C23H24FN3O3/c1-3-25-12-17-4-7-21(16(2)10-17)22(28)14-27-9-8-20(11-23(27)29)30-15-19-6-5-18(24)13-26-19/h4-11,13,25H,3,12,14-15H2,1-2H3
InChIKeyAWOYFPJVIUBLAJ-UHFFFAOYSA-N
XLogP3.26
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-(ethylaminomethyl)-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-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one?
The IUPAC name of 1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one (CID 91759553) is 1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one is CCNCc1ccc(C(=O)Cn2ccc(OCc3ccc(F)cn3)cc2=O)c(C)c1.
What is the InChIKey of 1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one?
The InChIKey is AWOYFPJVIUBLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-3-25-12-17-4-7-21(16(2)10-17)22(28)14-27-9-8-20(11-23(27)29)30-15-19-6-5-18(24)13-26-19/h4-11,13,25H,3,12,14-15H2,1-2H3.
What are the key properties of 1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one?
1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one has a molecular weight of 409.46 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one is sourced from PubChem (CID 91759553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).