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

C12H15F3N4O2 — CID 79875486

IUPAC2-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN(C)C(=O)CCNc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C12H15F3N4O2/c1-19(2)9(20)5-6-17-11-7(10(16)21)3-4-8(18-11)12(13,14)15/h3-4H,5-6H2,1-2H3,(H2,16,21)(H,17,18)
InChIKeyPERUNAOMFXFOQH-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.09
Rot. Bonds5

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

2-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79875486) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79875486
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name2-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN(C)C(=O)CCNc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C12H15F3N4O2/c1-19(2)9(20)5-6-17-11-7(10(16)21)3-4-8(18-11)12(13,14)15/h3-4H,5-6H2,1-2H3,(H2,16,21)(H,17,18)
InChIKeyPERUNAOMFXFOQH-UHFFFAOYSA-N
XLogP1.09
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875508
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-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869081
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-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875156
2-[(2-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79876734
2-(2,3-dimethylbutylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868802
2-[2-(dimethylamino)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877024
2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 54934775

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79875486) is 2-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide is CN(C)C(=O)CCNc1nc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is PERUNAOMFXFOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-19(2)9(20)5-6-17-11-7(10(16)21)3-4-8(18-11)12(13,14)15/h3-4H,5-6H2,1-2H3,(H2,16,21)(H,17,18).
What are the key properties of 2-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79875486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).