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

C12H16F3N3O2 — CID 79876734

IUPAC2-[(2-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCC(C)(O)CNc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C12H16F3N3O2/c1-3-11(2,20)6-17-10-7(9(16)19)4-5-8(18-10)12(13,14)15/h4-5,20H,3,6H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyVTINGJGVDAHBRT-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.77
Rot. Bonds5

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

2-[(2-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79876734) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79876734
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name2-[(2-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCC(C)(O)CNc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C12H16F3N3O2/c1-3-11(2,20)6-17-10-7(9(16)19)4-5-8(18-10)12(13,14)15/h4-5,20H,3,6H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyVTINGJGVDAHBRT-UHFFFAOYSA-N
XLogP1.77
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106277197
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869612
2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869081
2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869543
2-(2,3-dimethylbutylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868802
2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79877730
2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868797
2-[(3-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869147
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875124
2-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875486
2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868718
2-(pent-1-yn-3-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106230783

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(2-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79876734) is 2-[(2-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(2-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is CCC(C)(O)CNc1nc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-[(2-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is VTINGJGVDAHBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-3-11(2,20)6-17-10-7(9(16)19)4-5-8(18-10)12(13,14)15/h4-5,20H,3,6H2,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of 2-[(2-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[(2-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 291.27 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79876734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).