N-(2-ethyl-2-hydroxypentyl)-2-fluoropyridine-4-carboxamide

C13H19FN2O2 — CID 144683885

IUPACN-(2-ethyl-2-hydroxypentyl)-2-fluoropyridine-4-carboxamide
SMILESCCCC(O)(CC)CNC(=O)c1ccnc(F)c1
InChIInChI=1S/C13H19FN2O2/c1-3-6-13(18,4-2)9-16-12(17)10-5-7-15-11(14)8-10/h5,7-8,18H,3-4,6,9H2,1-2H3,(H,16,17)
InChIKeyJBXAYKPHBNYNLE-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.89
Rot. Bonds6

About N-(2-ethyl-2-hydroxypentyl)-2-fluoropyridine-4-carboxamide

N-(2-ethyl-2-hydroxypentyl)-2-fluoropyridine-4-carboxamide (PubChem CID 144683885) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxypentyl)-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxypentyl)-2-fluoropyridine-4-carboxamide
PubChem CID144683885
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-(2-ethyl-2-hydroxypentyl)-2-fluoropyridine-4-carboxamide
SMILESCCCC(O)(CC)CNC(=O)c1ccnc(F)c1
InChIInChI=1S/C13H19FN2O2/c1-3-6-13(18,4-2)9-16-12(17)10-5-7-15-11(14)8-10/h5,7-8,18H,3-4,6,9H2,1-2H3,(H,16,17)
InChIKeyJBXAYKPHBNYNLE-UHFFFAOYSA-N
XLogP1.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.89
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

2-fluoro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65106911
2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide
CID 114326677
N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide
CID 106753405
2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide
CID 63862460
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoropyridine-4-carboxamide
CID 103840043
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoropyridine-4-carboxamide
CID 61293798
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate
CID 61292675
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide
CID 111451765
2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-4-carboxamide
CID 62517986
2-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65036628
2-fluoro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-4-carboxamide
CID 61294593
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide
CID 111479066

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxypentyl)-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxypentyl)-2-fluoropyridine-4-carboxamide (CID 144683885) is N-(2-ethyl-2-hydroxypentyl)-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxypentyl)-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxypentyl)-2-fluoropyridine-4-carboxamide is CCCC(O)(CC)CNC(=O)c1ccnc(F)c1.
What is the InChIKey of N-(2-ethyl-2-hydroxypentyl)-2-fluoropyridine-4-carboxamide?
The InChIKey is JBXAYKPHBNYNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-6-13(18,4-2)9-16-12(17)10-5-7-15-11(14)8-10/h5,7-8,18H,3-4,6,9H2,1-2H3,(H,16,17).
What are the key properties of N-(2-ethyl-2-hydroxypentyl)-2-fluoropyridine-4-carboxamide?
N-(2-ethyl-2-hydroxypentyl)-2-fluoropyridine-4-carboxamide has a molecular weight of 254.30 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxypentyl)-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 144683885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).