2-[(3-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide

C11H14F3N3O2 — CID 79869147

IUPAC2-[(3-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(CO)CNc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C11H14F3N3O2/c1-6(5-18)4-16-10-7(9(15)19)2-3-8(17-10)11(12,13)14/h2-3,6,18H,4-5H2,1H3,(H2,15,19)(H,16,17)
InChIKeyFWNNWAUIVHSGEE-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.24
Rot. Bonds5

About 2-[(3-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[(3-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79869147) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79869147
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name2-[(3-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(CO)CNc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C11H14F3N3O2/c1-6(5-18)4-16-10-7(9(15)19)2-3-8(17-10)11(12,13)14/h2-3,6,18H,4-5H2,1H3,(H2,15,19)(H,16,17)
InChIKeyFWNNWAUIVHSGEE-UHFFFAOYSA-N
XLogP1.24
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869612
2-(2,3-dimethylbutylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868802
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875124
2-[(4-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877633
2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868797
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106277197
2-(2,3-dimethylbutylamino)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877180
2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875508
2-[(2-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79876734
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106345572
2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869543
2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79877730

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(3-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79869147) is 2-[(3-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(3-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is CC(CO)CNc1nc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-[(3-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is FWNNWAUIVHSGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-6(5-18)4-16-10-7(9(15)19)2-3-8(17-10)11(12,13)14/h2-3,6,18H,4-5H2,1H3,(H2,15,19)(H,16,17).
What are the key properties of 2-[(3-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[(3-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 277.25 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79869147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).