2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide

C12H15F3N4O2 — CID 106345572

IUPAC2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)C(Nc1nc(C(F)(F)F)ccc1C(N)=O)C(N)=O
InChIInChI=1S/C12H15F3N4O2/c1-5(2)8(10(17)21)19-11-6(9(16)20)3-4-7(18-11)12(13,14)15/h3-5,8H,1-2H3,(H2,16,20)(H2,17,21)(H,18,19)
InChIKeySWJCQOMXFAKCDV-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.12
Rot. Bonds5

About 2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 106345572) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID106345572
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)C(Nc1nc(C(F)(F)F)ccc1C(N)=O)C(N)=O
InChIInChI=1S/C12H15F3N4O2/c1-5(2)8(10(17)21)19-11-6(9(16)20)3-4-7(18-11)12(13,14)15/h3-5,8H,1-2H3,(H2,16,20)(H2,17,21)(H,18,19)
InChIKeySWJCQOMXFAKCDV-UHFFFAOYSA-N
XLogP1.12
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875156
2-(2,3-dimethylbutylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868802
2-(pent-1-yn-3-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106230783
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869612
2-(1-cyclopentylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875671
2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868797
2-(2-methylpentan-3-ylamino)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877314
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-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875668
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106277197
2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875508

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 106345572) is 2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is CC(C)C(Nc1nc(C(F)(F)F)ccc1C(N)=O)C(N)=O.
What is the InChIKey of 2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is SWJCQOMXFAKCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-5(2)8(10(17)21)19-11-6(9(16)20)3-4-7(18-11)12(13,14)15/h3-5,8H,1-2H3,(H2,16,20)(H2,17,21)(H,18,19).
What are the key properties of 2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 106345572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).