N-(2-hydroxy-2-phenylethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C16H15F3N2O2 — CID 2812767

IUPACN-(2-hydroxy-2-phenylethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C16H15F3N2O2/c1-10-12(7-8-14(21-10)16(17,18)19)15(23)20-9-13(22)11-5-3-2-4-6-11/h2-8,13,22H,9H2,1H3,(H,20,23)
InChIKeyBQKGMVZAUNILPD-UHFFFAOYSA-N
MW324.30 g/mol
LogP2.87
Rot. Bonds4

About N-(2-hydroxy-2-phenylethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-(2-hydroxy-2-phenylethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2812767) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2812767
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC NameN-(2-hydroxy-2-phenylethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C16H15F3N2O2/c1-10-12(7-8-14(21-10)16(17,18)19)15(23)20-9-13(22)11-5-3-2-4-6-11/h2-8,13,22H,9H2,1H3,(H,20,23)
InChIKeyBQKGMVZAUNILPD-UHFFFAOYSA-N
XLogP2.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 156646561
Quinoline-5, 6-[(3-hydroxy-3-phenyl-2-propyl)amino]-
CID 386228
CID 386231
CID 386231
6-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-2-methylpyridine-3-carboxamide
CID 72714075
N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58315627
N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58315763
6-[(4-Fluoro-phenyl)-hydroxy-methyl]-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
CID 71105700
US10239838, Example 31
CID 121413959
US10239838, Example 18
CID 121413976
US10239838, Example 23
CID 121413995
3-Pyridinecarboxamide, N-(4-(1-hydroxy-2,2,2-trifluoroethyl)phenyl)-
CID 3058191
6-(1-Acryloylpiperidin-4-yl)-2-(4-(hydroxy(phenyl)methyl)phenyl)nicotinamide
CID 117977269

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 2812767) is N-(2-hydroxy-2-phenylethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)NCC(O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is BQKGMVZAUNILPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-10-12(7-8-14(21-10)16(17,18)19)15(23)20-9-13(22)11-5-3-2-4-6-11/h2-8,13,22H,9H2,1H3,(H,20,23).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(2-hydroxy-2-phenylethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 324.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2812767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).