5-fluoro-N-(1-hydroxy-2-methylheptan-2-yl)-2-methylpyridine-3-carboxamide

C15H23FN2O2 — CID 142991962

IUPAC5-fluoro-N-(1-hydroxy-2-methylheptan-2-yl)-2-methylpyridine-3-carboxamide
SMILESCCCCCC(C)(CO)NC(=O)c1cc(F)cnc1C
InChIInChI=1S/C15H23FN2O2/c1-4-5-6-7-15(3,10-19)18-14(20)13-8-12(16)9-17-11(13)2/h8-9,19H,4-7,10H2,1-3H3,(H,18,20)
InChIKeyIKOZURBSXHPYKR-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.59
Rot. Bonds7

About 5-fluoro-N-(1-hydroxy-2-methylheptan-2-yl)-2-methylpyridine-3-carboxamide

5-fluoro-N-(1-hydroxy-2-methylheptan-2-yl)-2-methylpyridine-3-carboxamide (PubChem CID 142991962) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 5-fluoro-N-(1-hydroxy-2-methylheptan-2-yl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(1-hydroxy-2-methylheptan-2-yl)-2-methylpyridine-3-carboxamide
PubChem CID142991962
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name5-fluoro-N-(1-hydroxy-2-methylheptan-2-yl)-2-methylpyridine-3-carboxamide
SMILESCCCCCC(C)(CO)NC(=O)c1cc(F)cnc1C
InChIInChI=1S/C15H23FN2O2/c1-4-5-6-7-15(3,10-19)18-14(20)13-8-12(16)9-17-11(13)2/h8-9,19H,4-7,10H2,1-3H3,(H,18,20)
InChIKeyIKOZURBSXHPYKR-UHFFFAOYSA-N
XLogP2.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1-hydroxy-2-methylheptan-2-yl)-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-(1-hydroxy-2-methylheptan-2-yl)-2-methylpyridine-3-carboxamide (CID 142991962) is 5-fluoro-N-(1-hydroxy-2-methylheptan-2-yl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-(1-hydroxy-2-methylheptan-2-yl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-(1-hydroxy-2-methylheptan-2-yl)-2-methylpyridine-3-carboxamide is CCCCCC(C)(CO)NC(=O)c1cc(F)cnc1C.
What is the InChIKey of 5-fluoro-N-(1-hydroxy-2-methylheptan-2-yl)-2-methylpyridine-3-carboxamide?
The InChIKey is IKOZURBSXHPYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-4-5-6-7-15(3,10-19)18-14(20)13-8-12(16)9-17-11(13)2/h8-9,19H,4-7,10H2,1-3H3,(H,18,20).
What are the key properties of 5-fluoro-N-(1-hydroxy-2-methylheptan-2-yl)-2-methylpyridine-3-carboxamide?
5-fluoro-N-(1-hydroxy-2-methylheptan-2-yl)-2-methylpyridine-3-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1-hydroxy-2-methylheptan-2-yl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 142991962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).