2,6-difluoro-N-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide

C23H21F2N3O2 — CID 24831593

IUPAC2,6-difluoro-N-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
SMILESCC1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(c2nc(C)co2)CC1
InChIInChI=1S/C23H21F2N3O2/c1-14-10-11-28(23-26-15(2)13-30-23)12-18(14)16-6-8-17(9-7-16)27-22(29)21-19(24)4-3-5-20(21)25/h3-9,13H,10-12H2,1-2H3,(H,27,29)
InChIKeyXFZBUOXFDFLOFN-UHFFFAOYSA-N
MW409.44 g/mol
LogP5.20
Rot. Bonds4

About 2,6-difluoro-N-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide

2,6-difluoro-N-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide (PubChem CID 24831593) has the molecular formula C23H21F2N3O2 and a molecular weight of 409.44 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
PubChem CID24831593
Molecular FormulaC23H21F2N3O2
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name2,6-difluoro-N-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
SMILESCC1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(c2nc(C)co2)CC1
InChIInChI=1S/C23H21F2N3O2/c1-14-10-11-28(23-26-15(2)13-30-23)12-18(14)16-6-8-17(9-7-16)27-22(29)21-19(24)4-3-5-20(21)25/h3-9,13H,10-12H2,1-2H3,(H,27,29)
InChIKeyXFZBUOXFDFLOFN-UHFFFAOYSA-N
XLogP5.20
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.44
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide (CID 24831593) is 2,6-difluoro-N-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide is CC1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(c2nc(C)co2)CC1.
What is the InChIKey of 2,6-difluoro-N-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide?
The InChIKey is XFZBUOXFDFLOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O2/c1-14-10-11-28(23-26-15(2)13-30-23)12-18(14)16-6-8-17(9-7-16)27-22(29)21-19(24)4-3-5-20(21)25/h3-9,13H,10-12H2,1-2H3,(H,27,29).
What are the key properties of 2,6-difluoro-N-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide?
2,6-difluoro-N-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide has a molecular weight of 409.44 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide is sourced from PubChem (CID 24831593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).