6-fluoro-N-[(3R)-oxolan-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide

C14H19FN4O2 — CID 171559656

IUPAC6-fluoro-N-[(3R)-oxolan-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCOC1)c1ccc(N2CCNCC2)c(F)n1
InChIInChI=1S/C14H19FN4O2/c15-13-12(19-6-4-16-5-7-19)2-1-11(18-13)14(20)17-10-3-8-21-9-10/h1-2,10,16H,3-9H2,(H,17,20)/t10-/m1/s1
InChIKeyGKPBVZGHEDGGAM-SNVBAGLBSA-N
MW294.33 g/mol
LogP0.15
Rot. Bonds3

About 6-fluoro-N-[(3R)-oxolan-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide

6-fluoro-N-[(3R)-oxolan-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide (PubChem CID 171559656) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is 6-fluoro-N-[(3R)-oxolan-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(3R)-oxolan-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide
PubChem CID171559656
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC Name6-fluoro-N-[(3R)-oxolan-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCOC1)c1ccc(N2CCNCC2)c(F)n1
InChIInChI=1S/C14H19FN4O2/c15-13-12(19-6-4-16-5-7-19)2-1-11(18-13)14(20)17-10-3-8-21-9-10/h1-2,10,16H,3-9H2,(H,17,20)/t10-/m1/s1
InChIKeyGKPBVZGHEDGGAM-SNVBAGLBSA-N
XLogP0.15
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-(oxolan-3-yl)-4-piperazin-1-ylbenzamide
CID 166082493
ethane;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 168900115
5-[4-(3-tert-butylcyclopentyl)piperazin-1-yl]-6-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide
CID 176964696
N-chloro-6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 176885546
N-cyclopropyl-5-(2,5-diazabicyclo[4.2.0]octan-2-yl)-6-fluoropyridine-2-carboxamide
CID 170057183
4-[2-fluoro-4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid
CID 175819039
6-(methylamino)-N-(oxolan-3-yl)pyridine-2-carboxamide
CID 80715956
1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide
CID 168910444
5-chloro-N-(oxolan-3-yl)-1H-pyrazole-3-carboxamide
CID 118356988
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide
CID 175473204
N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide
CID 80713032
4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide
CID 80713377

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(3R)-oxolan-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[(3R)-oxolan-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide (CID 171559656) is 6-fluoro-N-[(3R)-oxolan-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(3R)-oxolan-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[(3R)-oxolan-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide is O=C(N[C@@H]1CCOC1)c1ccc(N2CCNCC2)c(F)n1.
What is the InChIKey of 6-fluoro-N-[(3R)-oxolan-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide?
The InChIKey is GKPBVZGHEDGGAM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19FN4O2/c15-13-12(19-6-4-16-5-7-19)2-1-11(18-13)14(20)17-10-3-8-21-9-10/h1-2,10,16H,3-9H2,(H,17,20)/t10-/m1/s1.
What are the key properties of 6-fluoro-N-[(3R)-oxolan-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide?
6-fluoro-N-[(3R)-oxolan-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(3R)-oxolan-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 171559656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).