N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(R)-phenyl(trifluoromethoxy)methyl]benzamide

C23H21F3N2O3 — CID 134961284

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(R)-phenyl(trifluoromethoxy)methyl]benzamide
SMILESCc1cc(C)c(CNC(=O)c2ccc([C@H](OC(F)(F)F)c3ccccc3)cc2)c(=O)[nH]1
InChIInChI=1S/C23H21F3N2O3/c1-14-12-15(2)28-22(30)19(14)13-27-21(29)18-10-8-17(9-11-18)20(31-23(24,25)26)16-6-4-3-5-7-16/h3-12,20H,13H2,1-2H3,(H,27,29)(H,28,30)/t20-/m1/s1
InChIKeyMXFHOBFNRQDVBZ-HXUWFJFHSA-N
MW430.43 g/mol
LogP4.55
Rot. Bonds6

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(R)-phenyl(trifluoromethoxy)methyl]benzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(R)-phenyl(trifluoromethoxy)methyl]benzamide (PubChem CID 134961284) has the molecular formula C23H21F3N2O3 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(R)-phenyl(trifluoromethoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(R)-phenyl(trifluoromethoxy)methyl]benzamide
PubChem CID134961284
Molecular FormulaC23H21F3N2O3
Molecular Weight430.43 g/mol
Exact Mass430.15
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(R)-phenyl(trifluoromethoxy)methyl]benzamide
SMILESCc1cc(C)c(CNC(=O)c2ccc([C@H](OC(F)(F)F)c3ccccc3)cc2)c(=O)[nH]1
InChIInChI=1S/C23H21F3N2O3/c1-14-12-15(2)28-22(30)19(14)13-27-21(29)18-10-8-17(9-11-18)20(31-23(24,25)26)16-6-4-3-5-7-16/h3-12,20H,13H2,1-2H3,(H,27,29)(H,28,30)/t20-/m1/s1
InChIKeyMXFHOBFNRQDVBZ-HXUWFJFHSA-N
XLogP4.55
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(R)-phenyl(trifluoromethoxy)methyl]benzamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(R)-phenyl(trifluoromethoxy)methyl]benzamide (CID 134961284) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(R)-phenyl(trifluoromethoxy)methyl]benzamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(R)-phenyl(trifluoromethoxy)methyl]benzamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(R)-phenyl(trifluoromethoxy)methyl]benzamide is Cc1cc(C)c(CNC(=O)c2ccc([C@H](OC(F)(F)F)c3ccccc3)cc2)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(R)-phenyl(trifluoromethoxy)methyl]benzamide?
The InChIKey is MXFHOBFNRQDVBZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H21F3N2O3/c1-14-12-15(2)28-22(30)19(14)13-27-21(29)18-10-8-17(9-11-18)20(31-23(24,25)26)16-6-4-3-5-7-16/h3-12,20H,13H2,1-2H3,(H,27,29)(H,28,30)/t20-/m1/s1.
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(R)-phenyl(trifluoromethoxy)methyl]benzamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(R)-phenyl(trifluoromethoxy)methyl]benzamide has a molecular weight of 430.43 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(R)-phenyl(trifluoromethoxy)methyl]benzamide is sourced from PubChem (CID 134961284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).