6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide

C13H19FN2O — CID 102612083

IUPAC6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide
SMILESCC(C)C(C)(C)CNC(=O)c1cccc(F)n1
InChIInChI=1S/C13H19FN2O/c1-9(2)13(3,4)8-15-12(17)10-6-5-7-11(14)16-10/h5-7,9H,8H2,1-4H3,(H,15,17)
InChIKeyDAPCFNRFAQIZRV-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.63
Rot. Bonds4

About 6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide

6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide (PubChem CID 102612083) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide
PubChem CID102612083
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide
SMILESCC(C)C(C)(C)CNC(=O)c1cccc(F)n1
InChIInChI=1S/C13H19FN2O/c1-9(2)13(3,4)8-15-12(17)10-6-5-7-11(14)16-10/h5-7,9H,8H2,1-4H3,(H,15,17)
InChIKeyDAPCFNRFAQIZRV-UHFFFAOYSA-N
XLogP2.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide
CID 115497619
6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide
CID 102904926
6-fluoro-N-(2-hydroxy-2-propylpentyl)pyridine-2-carboxamide
CID 109389045
6-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 115498038
5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid
CID 104682180
6-fluoro-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide
CID 115869324
2-[(6-fluoropyridine-2-carbonyl)amino]acetic acid
CID 115496286
6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 115868364
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
6-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide
CID 104579250
6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 115496471
6-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2-carboxamide
CID 103950214

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide (CID 102612083) is 6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide is CC(C)C(C)(C)CNC(=O)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide?
The InChIKey is DAPCFNRFAQIZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(2)13(3,4)8-15-12(17)10-6-5-7-11(14)16-10/h5-7,9H,8H2,1-4H3,(H,15,17).
What are the key properties of 6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide?
6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide has a molecular weight of 238.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 102612083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).