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

C24H24FN3O2 — CID 70310155

IUPAC2-fluoro-6-methyl-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(C)cccc3F)cc2)CN(c2nc(C)co2)CC1
InChIInChI=1S/C24H24FN3O2/c1-15-11-12-28(24-26-17(3)14-30-24)13-20(15)18-7-9-19(10-8-18)27-23(29)22-16(2)5-4-6-21(22)25/h4-10,14H,11-13H2,1-3H3,(H,27,29)
InChIKeyWVIZPPWGLGVNSH-UHFFFAOYSA-N
MW405.47 g/mol
LogP5.37
Rot. Bonds4

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

2-fluoro-6-methyl-N-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide (PubChem CID 70310155) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 2-fluoro-6-methyl-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-fluoro-6-methyl-N-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
PubChem CID70310155
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name2-fluoro-6-methyl-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(C)cccc3F)cc2)CN(c2nc(C)co2)CC1
InChIInChI=1S/C24H24FN3O2/c1-15-11-12-28(24-26-17(3)14-30-24)13-20(15)18-7-9-19(10-8-18)27-23(29)22-16(2)5-4-6-21(22)25/h4-10,14H,11-13H2,1-3H3,(H,27,29)
InChIKeyWVIZPPWGLGVNSH-UHFFFAOYSA-N
XLogP5.37
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.47
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-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-fluoro-6-methyl-N-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide (CID 70310155) is 2-fluoro-6-methyl-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-fluoro-6-methyl-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-fluoro-6-methyl-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(C)cccc3F)cc2)CN(c2nc(C)co2)CC1.
What is the InChIKey of 2-fluoro-6-methyl-N-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide?
The InChIKey is WVIZPPWGLGVNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-15-11-12-28(24-26-17(3)14-30-24)13-20(15)18-7-9-19(10-8-18)27-23(29)22-16(2)5-4-6-21(22)25/h4-10,14H,11-13H2,1-3H3,(H,27,29).
What are the key properties of 2-fluoro-6-methyl-N-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide?
2-fluoro-6-methyl-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 405.47 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-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 70310155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).