2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide

C12H15F3N4O2 — CID 106277197

IUPAC2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)(CNc1nc(C(F)(F)F)ccc1C(N)=O)C(N)=O
InChIInChI=1S/C12H15F3N4O2/c1-11(2,10(17)21)5-18-9-6(8(16)20)3-4-7(19-9)12(13,14)15/h3-4H,5H2,1-2H3,(H2,16,20)(H2,17,21)(H,18,19)
InChIKeyXCGUOVBFJAJZJX-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.12
Rot. Bonds5

About 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 106277197) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID106277197
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)(CNc1nc(C(F)(F)F)ccc1C(N)=O)C(N)=O
InChIInChI=1S/C12H15F3N4O2/c1-11(2,10(17)21)5-18-9-6(8(16)20)3-4-7(19-9)12(13,14)15/h3-4H,5H2,1-2H3,(H2,16,20)(H2,17,21)(H,18,19)
InChIKeyXCGUOVBFJAJZJX-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-[(2-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79876734
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869612
2-(2,3-dimethylbutylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868802
2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869543
2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79877730
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-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869147
2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869081
2-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875486
2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868718
3-[(3-carbamothioyl-6-methyl-2-pyridinyl)amino]-2,2-dimethylpropanamide
CID 114167405

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 106277197) is 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is CC(C)(CNc1nc(C(F)(F)F)ccc1C(N)=O)C(N)=O.
What is the InChIKey of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XCGUOVBFJAJZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-11(2,10(17)21)5-18-9-6(8(16)20)3-4-7(19-9)12(13,14)15/h3-4H,5H2,1-2H3,(H2,16,20)(H2,17,21)(H,18,19).
What are the key properties of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[(3-amino-2,2-dimethyl-3-oxopropyl)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-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 106277197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).