4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one

C19H16F2N2O2 — CID 22050343

IUPAC4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)cc(=O)n1Cc1cccnc1
InChIInChI=1S/C19H16F2N2O2/c1-13-7-17(25-12-15-4-5-16(20)8-18(15)21)9-19(24)23(13)11-14-3-2-6-22-10-14/h2-10H,11-12H2,1H3
InChIKeyPSJGPDWXTSZBIV-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.46
Rot. Bonds5

About 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one

4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one (PubChem CID 22050343) has the molecular formula C19H16F2N2O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one
PubChem CID22050343
Molecular FormulaC19H16F2N2O2
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)cc(=O)n1Cc1cccnc1
InChIInChI=1S/C19H16F2N2O2/c1-13-7-17(25-12-15-4-5-16(20)8-18(15)21)9-19(24)23(13)11-14-3-2-6-22-10-14/h2-10H,11-12H2,1H3
InChIKeyPSJGPDWXTSZBIV-UHFFFAOYSA-N
XLogP3.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one?
The IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one (CID 22050343) is 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one is Cc1cc(OCc2ccc(F)cc2F)cc(=O)n1Cc1cccnc1.
What is the InChIKey of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one?
The InChIKey is PSJGPDWXTSZBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2/c1-13-7-17(25-12-15-4-5-16(20)8-18(15)21)9-19(24)23(13)11-14-3-2-6-22-10-14/h2-10H,11-12H2,1H3.
What are the key properties of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one?
4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one has a molecular weight of 342.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 22050343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).