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

C22H20ClF2N3O2 — CID 90106925

IUPAC2,6-difluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride
SMILESCC1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(c2ncco2)CC1.Cl
InChIInChI=1S/C22H19F2N3O2.ClH/c1-14-9-11-27(22-25-10-12-29-22)13-17(14)15-5-7-16(8-6-15)26-21(28)20-18(23)3-2-4-19(20)24;/h2-8,10,12H,9,11,13H2,1H3,(H,26,28);1H
InChIKeyWCEIFOYMXOCFAC-UHFFFAOYSA-N
MW431.87 g/mol
LogP5.31
Rot. Bonds4

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

2,6-difluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride (PubChem CID 90106925) has the molecular formula C22H20ClF2N3O2 and a molecular weight of 431.87 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride
PubChem CID90106925
Molecular FormulaC22H20ClF2N3O2
Molecular Weight431.87 g/mol
Exact Mass431.12
IUPAC Name2,6-difluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride
SMILESCC1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(c2ncco2)CC1.Cl
InChIInChI=1S/C22H19F2N3O2.ClH/c1-14-9-11-27(22-25-10-12-29-22)13-17(14)15-5-7-16(8-6-15)26-21(28)20-18(23)3-2-4-19(20)24;/h2-8,10,12H,9,11,13H2,1H3,(H,26,28);1H
InChIKeyWCEIFOYMXOCFAC-UHFFFAOYSA-N
XLogP5.31
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.87
LogP ≤ 55.31
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-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride?
The IUPAC name of 2,6-difluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride (CID 90106925) is 2,6-difluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for 2,6-difluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride?
The canonical SMILES for 2,6-difluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride is CC1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(c2ncco2)CC1.Cl.
What is the InChIKey of 2,6-difluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride?
The InChIKey is WCEIFOYMXOCFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O2.ClH/c1-14-9-11-27(22-25-10-12-29-22)13-17(14)15-5-7-16(8-6-15)26-21(28)20-18(23)3-2-4-19(20)24;/h2-8,10,12H,9,11,13H2,1H3,(H,26,28);1H.
What are the key properties of 2,6-difluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride?
2,6-difluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride has a molecular weight of 431.87 g/mol, XLogP of 5.31, 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-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 90106925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).