2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide

C13H18F3N3O — CID 79868797

IUPAC2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)CCCNc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C13H18F3N3O/c1-8(2)4-3-7-18-12-9(11(17)20)5-6-10(19-12)13(14,15)16/h5-6,8H,3-4,7H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyLYVNKYPWGCBKOY-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.05
Rot. Bonds6

About 2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide

2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79868797) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79868797
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)CCCNc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C13H18F3N3O/c1-8(2)4-3-7-18-12-9(11(17)20)5-6-10(19-12)13(14,15)16/h5-6,8H,3-4,7H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyLYVNKYPWGCBKOY-UHFFFAOYSA-N
XLogP3.05
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79877730
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869612
2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869081
2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875508
2-(2,3-dimethylbutylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868802
2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869543
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-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875486
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106277197
2-[(2-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79876734
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106345572

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79868797) is 2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide is CC(C)CCCNc1nc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is LYVNKYPWGCBKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-8(2)4-3-7-18-12-9(11(17)20)5-6-10(19-12)13(14,15)16/h5-6,8H,3-4,7H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of 2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79868797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).