N-(6-fluoro-2-pyridinyl)-1,4-dioxane-2-carboxamide

C10H11FN2O3 — CID 104820872

IUPACN-(6-fluoro-2-pyridinyl)-1,4-dioxane-2-carboxamide
SMILESO=C(Nc1cccc(F)n1)C1COCCO1
InChIInChI=1S/C10H11FN2O3/c11-8-2-1-3-9(12-8)13-10(14)7-6-15-4-5-16-7/h1-3,7H,4-6H2,(H,12,13,14)
InChIKeyFRPYFLVMAZBYGB-UHFFFAOYSA-N
MW226.21 g/mol
LogP0.57
Rot. Bonds2

About N-(6-fluoro-2-pyridinyl)-1,4-dioxane-2-carboxamide

N-(6-fluoro-2-pyridinyl)-1,4-dioxane-2-carboxamide (PubChem CID 104820872) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-2-pyridinyl)-1,4-dioxane-2-carboxamide
PubChem CID104820872
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC NameN-(6-fluoro-2-pyridinyl)-1,4-dioxane-2-carboxamide
SMILESO=C(Nc1cccc(F)n1)C1COCCO1
InChIInChI=1S/C10H11FN2O3/c11-8-2-1-3-9(12-8)13-10(14)7-6-15-4-5-16-7/h1-3,7H,4-6H2,(H,12,13,14)
InChIKeyFRPYFLVMAZBYGB-UHFFFAOYSA-N
XLogP0.57
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-fluoro-2-pyridinyl)oxolane-3-carboxamide
CID 104820866
N-phenyl-1,4-dioxane-2-carboxamide
CID 47176768
(2S)-N-phenyl-1,4-dioxane-2-carboxamide
CID 39885866
N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,4-dioxane-2-carboxamide
CID 163367449
(2S)-N-[5-chloro-6-(methylsulfanylmethyl)-2-pyridinyl]-1,4-dioxane-2-carboxamide
CID 95981256
N-(5-cyano-2-pyridinyl)-1,4-dioxane-2-carboxamide
CID 62805806
6-[(6-fluoro-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 116812689
2-(1,4-dioxane-2-carbonylamino)benzoic acid
CID 43353060
N-(3-ethynylphenyl)-1,4-dioxane-2-carboxamide
CID 47176741
2-(1,4-dioxane-2-carbonylamino)-5-fluorobenzoic acid
CID 43359644
(2R)-N-(6-methyl-2-pyridinyl)oxolane-2-carboxamide
CID 40572544
N-(6-fluoro-2-pyridinyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127954

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-pyridinyl)-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(6-fluoro-2-pyridinyl)-1,4-dioxane-2-carboxamide (CID 104820872) is N-(6-fluoro-2-pyridinyl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(6-fluoro-2-pyridinyl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(6-fluoro-2-pyridinyl)-1,4-dioxane-2-carboxamide is O=C(Nc1cccc(F)n1)C1COCCO1.
What is the InChIKey of N-(6-fluoro-2-pyridinyl)-1,4-dioxane-2-carboxamide?
The InChIKey is FRPYFLVMAZBYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c11-8-2-1-3-9(12-8)13-10(14)7-6-15-4-5-16-7/h1-3,7H,4-6H2,(H,12,13,14).
What are the key properties of N-(6-fluoro-2-pyridinyl)-1,4-dioxane-2-carboxamide?
N-(6-fluoro-2-pyridinyl)-1,4-dioxane-2-carboxamide has a molecular weight of 226.21 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-pyridinyl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 104820872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).