5-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide

C11H15FN2O3 — CID 113435003

IUPAC5-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide
SMILESCCC(CO)(CO)NC(=O)c1ccc(F)cn1
InChIInChI=1S/C11H15FN2O3/c1-2-11(6-15,7-16)14-10(17)9-4-3-8(12)5-13-9/h3-5,15-16H,2,6-7H2,1H3,(H,14,17)
InChIKeyDUDDJDSSOGHCNX-UHFFFAOYSA-N
MW242.25 g/mol
LogP0.08
Rot. Bonds5

About 5-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide

5-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide (PubChem CID 113435003) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is 5-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide
PubChem CID113435003
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name5-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide
SMILESCCC(CO)(CO)NC(=O)c1ccc(F)cn1
InChIInChI=1S/C11H15FN2O3/c1-2-11(6-15,7-16)14-10(17)9-4-3-8(12)5-13-9/h3-5,15-16H,2,6-7H2,1H3,(H,14,17)
InChIKeyDUDDJDSSOGHCNX-UHFFFAOYSA-N
XLogP0.08
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide
CID 55153816
N-(3-carbamothioylpentan-3-yl)-5-fluoropyridine-2-carboxamide
CID 104638560
N-(3-ethylpentan-3-yl)-5-hydrazinylpyridine-2-carboxamide
CID 104642862
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide
CID 103890812
5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 65043816
6-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridazine-3-carboxamide
CID 107865144
N-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide
CID 62520148
2-cyclopropyl-2-[(5-fluoropyridine-2-carbonyl)amino]propanoic acid
CID 113435792
2,4,6-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 107866560
6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43427297
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 64555627
3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104638318

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide (CID 113435003) is 5-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide is CCC(CO)(CO)NC(=O)c1ccc(F)cn1.
What is the InChIKey of 5-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide?
The InChIKey is DUDDJDSSOGHCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-2-11(6-15,7-16)14-10(17)9-4-3-8(12)5-13-9/h3-5,15-16H,2,6-7H2,1H3,(H,14,17).
What are the key properties of 5-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide?
5-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide has a molecular weight of 242.25 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 113435003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).