6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide

C12H15FN2O2 — CID 63971995

IUPAC6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(F)nc1)C1CCCO1
InChIInChI=1S/C12H15FN2O2/c1-8(10-3-2-6-17-10)15-12(16)9-4-5-11(13)14-7-9/h4-5,7-8,10H,2-3,6H2,1H3,(H,15,16)
InChIKeyRIDNWAHAMWOZFL-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.52
Rot. Bonds3

About 6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide

6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 63971995) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID63971995
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(F)nc1)C1CCCO1
InChIInChI=1S/C12H15FN2O2/c1-8(10-3-2-6-17-10)15-12(16)9-4-5-11(13)14-7-9/h4-5,7-8,10H,2-3,6H2,1H3,(H,15,16)
InChIKeyRIDNWAHAMWOZFL-UHFFFAOYSA-N
XLogP1.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.52
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-(1-cyclobutylethyl)-6-fluoropyridine-3-carboxamide
CID 115769021
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533877
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 6466404
5-amino-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
CID 81316128
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 35240794
6-[(3-fluorophenyl)methoxy]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 58368122
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide
CID 35273707
2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62648709
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide (CID 63971995) is 6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide is CC(NC(=O)c1ccc(F)nc1)C1CCCO1.
What is the InChIKey of 6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is RIDNWAHAMWOZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-8(10-3-2-6-17-10)15-12(16)9-4-5-11(13)14-7-9/h4-5,7-8,10H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide?
6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 238.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 63971995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).