2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide

C11H14F3N3O — CID 79869612

IUPAC2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)CNc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C11H14F3N3O/c1-6(2)5-16-10-7(9(15)18)3-4-8(17-10)11(12,13)14/h3-4,6H,5H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyZQQMABHSJZMUSJ-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.27
Rot. Bonds4

About 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide

2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79869612) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79869612
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)CNc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C11H14F3N3O/c1-6(2)5-16-10-7(9(15)18)3-4-8(17-10)11(12,13)14/h3-4,6H,5H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyZQQMABHSJZMUSJ-UHFFFAOYSA-N
XLogP2.27
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethylbutylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868802
2-[(3-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869147
2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868797
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875124
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
2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869081

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79869612) is 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide is CC(C)CNc1nc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ZQQMABHSJZMUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-6(2)5-16-10-7(9(15)18)3-4-8(17-10)11(12,13)14/h3-4,6H,5H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 261.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79869612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).