2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide

C12H15F3N4O2 — CID 79875156

IUPAC2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(Nc1nc(C(F)(F)F)ccc1C(N)=O)C(=O)N(C)C
InChIInChI=1S/C12H15F3N4O2/c1-6(11(21)19(2)3)17-10-7(9(16)20)4-5-8(18-10)12(13,14)15/h4-6H,1-3H3,(H2,16,20)(H,17,18)
InChIKeyBOMDYOKGEDBHKO-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.09
Rot. Bonds4

About 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79875156) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79875156
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(Nc1nc(C(F)(F)F)ccc1C(N)=O)C(=O)N(C)C
InChIInChI=1S/C12H15F3N4O2/c1-6(11(21)19(2)3)17-10-7(9(16)20)4-5-8(18-10)12(13,14)15/h4-6H,1-3H3,(H2,16,20)(H,17,18)
InChIKeyBOMDYOKGEDBHKO-UHFFFAOYSA-N
XLogP1.09
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106345572
2-(pent-1-yn-3-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106230783
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869612
2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875508
2-(1-cyclopentylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875671
2-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875486
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-[methyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869003
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106277197

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79875156) is 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide is CC(Nc1nc(C(F)(F)F)ccc1C(N)=O)C(=O)N(C)C.
What is the InChIKey of 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is BOMDYOKGEDBHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-6(11(21)19(2)3)17-10-7(9(16)20)4-5-8(18-10)12(13,14)15/h4-6H,1-3H3,(H2,16,20)(H,17,18).
What are the key properties of 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79875156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).