6-fluoro-N-(2-hydroxy-2-propylpentyl)pyridine-2-carboxamide

C14H21FN2O2 — CID 109389045

IUPAC6-fluoro-N-(2-hydroxy-2-propylpentyl)pyridine-2-carboxamide
SMILESCCCC(O)(CCC)CNC(=O)c1cccc(F)n1
InChIInChI=1S/C14H21FN2O2/c1-3-8-14(19,9-4-2)10-16-13(18)11-6-5-7-12(15)17-11/h5-7,19H,3-4,8-10H2,1-2H3,(H,16,18)
InChIKeyQEAGLIUQZJSCEJ-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.28
Rot. Bonds7

About 6-fluoro-N-(2-hydroxy-2-propylpentyl)pyridine-2-carboxamide

6-fluoro-N-(2-hydroxy-2-propylpentyl)pyridine-2-carboxamide (PubChem CID 109389045) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 6-fluoro-N-(2-hydroxy-2-propylpentyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-hydroxy-2-propylpentyl)pyridine-2-carboxamide
PubChem CID109389045
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name6-fluoro-N-(2-hydroxy-2-propylpentyl)pyridine-2-carboxamide
SMILESCCCC(O)(CCC)CNC(=O)c1cccc(F)n1
InChIInChI=1S/C14H21FN2O2/c1-3-8-14(19,9-4-2)10-16-13(18)11-6-5-7-12(15)17-11/h5-7,19H,3-4,8-10H2,1-2H3,(H,16,18)
InChIKeyQEAGLIUQZJSCEJ-UHFFFAOYSA-N
XLogP2.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-hydroxy-2-propylpentyl)carbamoyl]pyridine-2-carboxylic acid
CID 119186122
N-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide
CID 115497619
6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide
CID 102612083
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
6-chloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
CID 65107379
2-[(6-fluoropyridine-2-carbonyl)amino]acetic acid
CID 115496286
6-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 115498038
N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide
CID 115496571
6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide
CID 102904926
6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 115496471
6-fluoro-N-pent-3-ynylpyridine-2-carboxamide
CID 104581025
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide
CID 115497535

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-hydroxy-2-propylpentyl)pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-(2-hydroxy-2-propylpentyl)pyridine-2-carboxamide (CID 109389045) is 6-fluoro-N-(2-hydroxy-2-propylpentyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-hydroxy-2-propylpentyl)pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-hydroxy-2-propylpentyl)pyridine-2-carboxamide is CCCC(O)(CCC)CNC(=O)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-(2-hydroxy-2-propylpentyl)pyridine-2-carboxamide?
The InChIKey is QEAGLIUQZJSCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-3-8-14(19,9-4-2)10-16-13(18)11-6-5-7-12(15)17-11/h5-7,19H,3-4,8-10H2,1-2H3,(H,16,18).
What are the key properties of 6-fluoro-N-(2-hydroxy-2-propylpentyl)pyridine-2-carboxamide?
6-fluoro-N-(2-hydroxy-2-propylpentyl)pyridine-2-carboxamide has a molecular weight of 268.33 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-hydroxy-2-propylpentyl)pyridine-2-carboxamide is sourced from PubChem (CID 109389045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).