2-(pent-1-yn-3-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide

C12H12F3N3O — CID 106230783

IUPAC2-(pent-1-yn-3-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC#CC(CC)Nc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C12H12F3N3O/c1-3-7(4-2)17-11-8(10(16)19)5-6-9(18-11)12(13,14)15/h1,5-7H,4H2,2H3,(H2,16,19)(H,17,18)
InChIKeyQUNPHQAXFCXDFV-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.02
Rot. Bonds4

About 2-(pent-1-yn-3-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide

2-(pent-1-yn-3-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 106230783) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 2-(pent-1-yn-3-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(pent-1-yn-3-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID106230783
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name2-(pent-1-yn-3-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC#CC(CC)Nc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C12H12F3N3O/c1-3-7(4-2)17-11-8(10(16)19)5-6-9(18-11)12(13,14)15/h1,5-7H,4H2,2H3,(H2,16,19)(H,17,18)
InChIKeyQUNPHQAXFCXDFV-UHFFFAOYSA-N
XLogP2.02
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875668
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106345572
2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875156
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869612
2-(2-methylpentan-3-ylamino)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877314
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-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106277197
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-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868797
2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869081

Frequently Asked Questions

What is the IUPAC name of 2-(pent-1-yn-3-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(pent-1-yn-3-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 106230783) is 2-(pent-1-yn-3-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(pent-1-yn-3-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(pent-1-yn-3-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide is C#CC(CC)Nc1nc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-(pent-1-yn-3-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is QUNPHQAXFCXDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-3-7(4-2)17-11-8(10(16)19)5-6-9(18-11)12(13,14)15/h1,5-7H,4H2,2H3,(H2,16,19)(H,17,18).
What are the key properties of 2-(pent-1-yn-3-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(pent-1-yn-3-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 271.24 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pent-1-yn-3-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 106230783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).