N-[(2R)-2-hydroxy-3-methylbutyl]-3-(trifluoromethyl)pyridine-4-carboxamide

C12H15F3N2O2 — CID 99779539

IUPACN-[(2R)-2-hydroxy-3-methylbutyl]-3-(trifluoromethyl)pyridine-4-carboxamide
SMILESCC(C)[C@@H](O)CNC(=O)c1ccncc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-7(2)10(18)6-17-11(19)8-3-4-16-5-9(8)12(13,14)15/h3-5,7,10,18H,6H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyWBRGSEBACCJJKB-JTQLQIEISA-N
MW276.26 g/mol
LogP1.85
Rot. Bonds4

About N-[(2R)-2-hydroxy-3-methylbutyl]-3-(trifluoromethyl)pyridine-4-carboxamide

N-[(2R)-2-hydroxy-3-methylbutyl]-3-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 99779539) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-methylbutyl]-3-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-methylbutyl]-3-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID99779539
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-[(2R)-2-hydroxy-3-methylbutyl]-3-(trifluoromethyl)pyridine-4-carboxamide
SMILESCC(C)[C@@H](O)CNC(=O)c1ccncc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-7(2)10(18)6-17-11(19)8-3-4-16-5-9(8)12(13,14)15/h3-5,7,10,18H,6H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyWBRGSEBACCJJKB-JTQLQIEISA-N
XLogP1.85
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 142421392
N-methyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 58243648
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
3-(trifluoromethyl)pyridine-4-carboxylate
CID 26986367
N-[1-(3-chlorophenyl)ethyl]-3-(trifluoromethyl)pyridine-4-carboxamide
CID 166229323
N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)pyridine-4-carboxamide
CID 138001583
tert-butyl N-[[3-(trifluoromethyl)pyridine-4-carbonyl]amino]carbamate
CID 175174344
3-amino-N-(2-methylpropyl)pyridine-4-carboxamide
CID 110848376
N-(2-hydroxy-3-methylbutyl)pyridazine-4-carboxamide
CID 115769407
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570
4-amino-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 123975381
2-bromo-N-(2-hydroxy-3-methylbutyl)furan-3-carboxamide
CID 106854363

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-methylbutyl]-3-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-methylbutyl]-3-(trifluoromethyl)pyridine-4-carboxamide (CID 99779539) is N-[(2R)-2-hydroxy-3-methylbutyl]-3-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-methylbutyl]-3-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-methylbutyl]-3-(trifluoromethyl)pyridine-4-carboxamide is CC(C)[C@@H](O)CNC(=O)c1ccncc1C(F)(F)F.
What is the InChIKey of N-[(2R)-2-hydroxy-3-methylbutyl]-3-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is WBRGSEBACCJJKB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-7(2)10(18)6-17-11(19)8-3-4-16-5-9(8)12(13,14)15/h3-5,7,10,18H,6H2,1-2H3,(H,17,19)/t10-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-methylbutyl]-3-(trifluoromethyl)pyridine-4-carboxamide?
N-[(2R)-2-hydroxy-3-methylbutyl]-3-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3-methylbutyl]-3-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 99779539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).