2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-4-carboxamide

C12H17FN2O2 — CID 62517986

IUPAC2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-4-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1ccnc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-3-12(4-2,8-16)15-11(17)9-5-6-14-10(13)7-9/h5-7,16H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyLXENHFAFQHLNRW-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.50
Rot. Bonds5

About 2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-4-carboxamide

2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-4-carboxamide (PubChem CID 62517986) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-4-carboxamide
PubChem CID62517986
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-4-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1ccnc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-3-12(4-2,8-16)15-11(17)9-5-6-14-10(13)7-9/h5-7,16H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyLXENHFAFQHLNRW-UHFFFAOYSA-N
XLogP1.50
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.50
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-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide
CID 115870175
3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide
CID 62517240
2-ethyl-2-[(2-fluoro-4-pyridinyl)amino]propane-1,3-diol
CID 107866452
N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
N-(2-ethyl-2-hydroxypentyl)-2-fluoropyridine-4-carboxamide
CID 144683885
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate
CID 61292675
2-fluoro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65106911
3-chloro-4-hydroxy-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 62517786
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(trifluoromethyl)benzamide
CID 103602168
2,4,6-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 107866560
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 104630036
4-bromo-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 81295658

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-4-carboxamide (CID 62517986) is 2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-4-carboxamide is CCC(CC)(CO)NC(=O)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-4-carboxamide?
The InChIKey is LXENHFAFQHLNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-3-12(4-2,8-16)15-11(17)9-5-6-14-10(13)7-9/h5-7,16H,3-4,8H2,1-2H3,(H,15,17).
What are the key properties of 2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-4-carboxamide?
2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-4-carboxamide has a molecular weight of 240.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 62517986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).