6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C11H13FN2O2 — CID 63972348

IUPAC6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(F)nc1
InChIInChI=1S/C11H13FN2O2/c12-10-4-3-8(6-13-10)11(15)14-7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7H2,(H,14,15)
InChIKeyLEGPITOJAFJYDE-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.13
Rot. Bonds3

About 6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 63972348) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is 6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID63972348
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(F)nc1
InChIInChI=1S/C11H13FN2O2/c12-10-4-3-8(6-13-10)11(15)14-7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7H2,(H,14,15)
InChIKeyLEGPITOJAFJYDE-UHFFFAOYSA-N
XLogP1.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153510
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
N-(oxolan-2-ylmethyl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681810
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
6-morpholin-4-yl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 724881
6-(dipropylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153658
2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 55014520
trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide
CID 99738286
N-(oxolan-2-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide
CID 53149661
N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyridine-3-carboxamide
CID 71830129
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 63972348) is 6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCCO1)c1ccc(F)nc1.
What is the InChIKey of 6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is LEGPITOJAFJYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-10-4-3-8(6-13-10)11(15)14-7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7H2,(H,14,15).
What are the key properties of 6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 224.23 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 63972348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).