N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylpyridine-3-carboxamide

C21H17F3N2O2 — CID 68738358

IUPACN-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1cccc(-c2cc(C(F)(F)F)ccc2O)c1)C(=O)c1cccnc1
InChIInChI=1S/C21H17F3N2O2/c1-26(20(28)16-6-3-9-25-12-16)13-14-4-2-5-15(10-14)18-11-17(21(22,23)24)7-8-19(18)27/h2-12,27H,13H2,1H3
InChIKeyAFWCWDPQBUNUIB-UHFFFAOYSA-N
MW386.37 g/mol
LogP4.75
Rot. Bonds4

About N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylpyridine-3-carboxamide

N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylpyridine-3-carboxamide (PubChem CID 68738358) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylpyridine-3-carboxamide
PubChem CID68738358
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC NameN-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1cccc(-c2cc(C(F)(F)F)ccc2O)c1)C(=O)c1cccnc1
InChIInChI=1S/C21H17F3N2O2/c1-26(20(28)16-6-3-9-25-12-16)13-14-4-2-5-15(10-14)18-11-17(21(22,23)24)7-8-19(18)27/h2-12,27H,13H2,1H3
InChIKeyAFWCWDPQBUNUIB-UHFFFAOYSA-N
XLogP4.75
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylpyridine-3-carboxamide (CID 68738358) is N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylpyridine-3-carboxamide is CN(Cc1cccc(-c2cc(C(F)(F)F)ccc2O)c1)C(=O)c1cccnc1.
What is the InChIKey of N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is AFWCWDPQBUNUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c1-26(20(28)16-6-3-9-25-12-16)13-14-4-2-5-15(10-14)18-11-17(21(22,23)24)7-8-19(18)27/h2-12,27H,13H2,1H3.
What are the key properties of N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylpyridine-3-carboxamide?
N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 386.37 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 68738358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).