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

CID 712047
CID 712047
CID 135408240
CID 135408240
CID 252216
CID 252216
CID 13155595
CID 13155595
CID 686880
CID 686880
CID 1904911
CID 1904911
CID 4362481
CID 4362481
CID 651580
CID 651580
CID 3031421
CID 3031421
CID 5468784
CID 5468784
CID 5468910
CID 5468910
CID 146420181
CID 146420181

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).