6-fluoro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide

C14H21FN2O2 — CID 63979343

IUPAC6-fluoro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESCCCCCCN(CCO)C(=O)c1ccc(F)nc1
InChIInChI=1S/C14H21FN2O2/c1-2-3-4-5-8-17(9-10-18)14(19)12-6-7-13(15)16-11-12/h6-7,11,18H,2-5,8-10H2,1H3
InChIKeyQKWTVNYUSRGHSM-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.24
Rot. Bonds8

About 6-fluoro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide

6-fluoro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide (PubChem CID 63979343) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 6-fluoro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
PubChem CID63979343
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name6-fluoro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESCCCCCCN(CCO)C(=O)c1ccc(F)nc1
InChIInChI=1S/C14H21FN2O2/c1-2-3-4-5-8-17(9-10-18)14(19)12-6-7-13(15)16-11-12/h6-7,11,18H,2-5,8-10H2,1H3
InChIKeyQKWTVNYUSRGHSM-UHFFFAOYSA-N
XLogP2.24
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 62160208
N-hexyl-N-(2-hydroxyethyl)benzamide
CID 61215400
6-amino-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 62162096
2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 114326080
2,6-dichloro-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 61052289
2-bromo-6-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide
CID 114559534
N,N-bis(2-cyanoethyl)-6-fluoropyridine-3-carboxamide
CID 63979683
N-butyl-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 115769637
N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide
CID 63213761
6-fluoro-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 63979339
6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide
CID 63973383
N-ethyl-6-fluoro-N-methylpyridine-3-carboxamide
CID 63972560

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide (CID 63979343) is 6-fluoro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide is CCCCCCN(CCO)C(=O)c1ccc(F)nc1.
What is the InChIKey of 6-fluoro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The InChIKey is QKWTVNYUSRGHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-2-3-4-5-8-17(9-10-18)14(19)12-6-7-13(15)16-11-12/h6-7,11,18H,2-5,8-10H2,1H3.
What are the key properties of 6-fluoro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide?
6-fluoro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide has a molecular weight of 268.33 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 63979343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).