N-[(2R)-2-benzyl-3-hydroxy-2-methylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C18H19F3N2O2 — CID 124844932

IUPACN-[(2R)-2-benzyl-3-hydroxy-2-methylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@](CO)(CNC(=O)c1ccc(C(F)(F)F)nc1)Cc1ccccc1
InChIInChI=1S/C18H19F3N2O2/c1-17(12-24,9-13-5-3-2-4-6-13)11-23-16(25)14-7-8-15(22-10-14)18(19,20)21/h2-8,10,24H,9,11-12H2,1H3,(H,23,25)/t17-/m1/s1
InChIKeyHCEXKVFMRNCSTQ-QGZVFWFLSA-N
MW352.36 g/mol
LogP3.07
Rot. Bonds6

About N-[(2R)-2-benzyl-3-hydroxy-2-methylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[(2R)-2-benzyl-3-hydroxy-2-methylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 124844932) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is N-[(2R)-2-benzyl-3-hydroxy-2-methylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-benzyl-3-hydroxy-2-methylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID124844932
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC NameN-[(2R)-2-benzyl-3-hydroxy-2-methylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@](CO)(CNC(=O)c1ccc(C(F)(F)F)nc1)Cc1ccccc1
InChIInChI=1S/C18H19F3N2O2/c1-17(12-24,9-13-5-3-2-4-6-13)11-23-16(25)14-7-8-15(22-10-14)18(19,20)21/h2-8,10,24H,9,11-12H2,1H3,(H,23,25)/t17-/m1/s1
InChIKeyHCEXKVFMRNCSTQ-QGZVFWFLSA-N
XLogP3.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 111102526
2-ethyl-2-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]butanoic acid
CID 120533315
2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 62676946
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 99999937
(2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 107833571
N-[2-(diethylamino)-3-phenylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43067642
N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43055984
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
N-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43424634
N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-methylfuran-2-carboxamide
CID 99795330
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86836166
N-[2-(1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86813146

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-benzyl-3-hydroxy-2-methylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-benzyl-3-hydroxy-2-methylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 124844932) is N-[(2R)-2-benzyl-3-hydroxy-2-methylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-benzyl-3-hydroxy-2-methylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-benzyl-3-hydroxy-2-methylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide is C[C@](CO)(CNC(=O)c1ccc(C(F)(F)F)nc1)Cc1ccccc1.
What is the InChIKey of N-[(2R)-2-benzyl-3-hydroxy-2-methylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is HCEXKVFMRNCSTQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-17(12-24,9-13-5-3-2-4-6-13)11-23-16(25)14-7-8-15(22-10-14)18(19,20)21/h2-8,10,24H,9,11-12H2,1H3,(H,23,25)/t17-/m1/s1.
What are the key properties of N-[(2R)-2-benzyl-3-hydroxy-2-methylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[(2R)-2-benzyl-3-hydroxy-2-methylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-benzyl-3-hydroxy-2-methylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 124844932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).