6-(methylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide

C12H16F3N3O — CID 115522150

IUPAC6-(methylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
SMILESCNc1ccc(C(=O)NCCCCC(F)(F)F)cn1
InChIInChI=1S/C12H16F3N3O/c1-16-10-5-4-9(8-18-10)11(19)17-7-3-2-6-12(13,14)15/h4-5,8H,2-3,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyLEHDVIBLJTWONW-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.59
Rot. Bonds6

About 6-(methylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide

6-(methylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide (PubChem CID 115522150) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 6-(methylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(methylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
PubChem CID115522150
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name6-(methylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
SMILESCNc1ccc(C(=O)NCCCCC(F)(F)F)cn1
InChIInChI=1S/C12H16F3N3O/c1-16-10-5-4-9(8-18-10)11(19)17-7-3-2-6-12(13,14)15/h4-5,8H,2-3,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyLEHDVIBLJTWONW-UHFFFAOYSA-N
XLogP2.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.59
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

6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 63227522
6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 79420880
6-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 106342502
N,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide
CID 115486588
N-[2-(2-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62171019
5,6-dichloro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 115491613
N-(cyanomethyl)-6-(methylamino)pyridine-3-carboxamide
CID 126986999
2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide
CID 115492102
N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-carboxamide
CID 115491628
6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 66465126
N-[2-(dimethylamino)propyl]-6-(methylamino)pyridine-3-carboxamide
CID 62175314
N-(2,3-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide
CID 64583359

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide?
The IUPAC name of 6-(methylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide (CID 115522150) is 6-(methylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(methylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(methylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide is CNc1ccc(C(=O)NCCCCC(F)(F)F)cn1.
What is the InChIKey of 6-(methylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide?
The InChIKey is LEHDVIBLJTWONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-16-10-5-4-9(8-18-10)11(19)17-7-3-2-6-12(13,14)15/h4-5,8H,2-3,6-7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 6-(methylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide?
6-(methylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide is sourced from PubChem (CID 115522150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).