6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide

C12H17FN2O2 — CID 63977631

IUPAC6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1ccc(F)nc1
InChIInChI=1S/C12H17FN2O2/c1-8(2)5-10(7-16)15-12(17)9-3-4-11(13)14-6-9/h3-4,6,8,10,16H,5,7H2,1-2H3,(H,15,17)
InChIKeyGKXCFRSBHHSUKM-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.36
Rot. Bonds5

About 6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide

6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide (PubChem CID 63977631) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
PubChem CID63977631
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1ccc(F)nc1
InChIInChI=1S/C12H17FN2O2/c1-8(2)5-10(7-16)15-12(17)9-3-4-11(13)14-6-9/h3-4,6,8,10,16H,5,7H2,1-2H3,(H,15,17)
InChIKeyGKXCFRSBHHSUKM-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
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

N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide
CID 63978149
N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide
CID 61247488
N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 61246175
3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide
CID 61247340
4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 63213629
4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide
CID 39357973
N-(1-hydroxy-4-methylpentan-2-yl)pyrimidine-5-carboxamide
CID 104627101
3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246469
N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-3-carboxamide
CID 115674679
4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246765
(2S)-2-[(6-fluoropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 103804178
N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide
CID 61245282

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide (CID 63977631) is 6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide is CC(C)CC(CO)NC(=O)c1ccc(F)nc1.
What is the InChIKey of 6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide?
The InChIKey is GKXCFRSBHHSUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(2)5-10(7-16)15-12(17)9-3-4-11(13)14-6-9/h3-4,6,8,10,16H,5,7H2,1-2H3,(H,15,17).
What are the key properties of 6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide?
6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide has a molecular weight of 240.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 63977631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).