N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C14H11FN2O3 — CID 103789852

IUPACN-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ccc(F)nc1)C1COc2ccccc2O1
InChIInChI=1S/C14H11FN2O3/c15-13-6-5-9(7-16-13)17-14(18)12-8-19-10-3-1-2-4-11(10)20-12/h1-7,12H,8H2,(H,17,18)
InChIKeyVKMSIURYNKFADQ-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.00
Rot. Bonds2

About N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 103789852) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID103789852
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC NameN-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ccc(F)nc1)C1COc2ccccc2O1
InChIInChI=1S/C14H11FN2O3/c15-13-6-5-9(7-16-13)17-14(18)12-8-19-10-3-1-2-4-11(10)20-12/h1-7,12H,8H2,(H,17,18)
InChIKeyVKMSIURYNKFADQ-UHFFFAOYSA-N
XLogP2.00
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.00
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-(2-phenoxypyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 122302367
(3S)-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2210025
N-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 19168010
(3R)-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 724290
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 122299123
N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788362
(3S)-N-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51972953
N-[4-(pyridin-4-ylmethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 133185346
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55750200
N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4075154
(3R)-N-(4-pyridin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117074662
(3S)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 978643

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 103789852) is N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(Nc1ccc(F)nc1)C1COc2ccccc2O1.
What is the InChIKey of N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is VKMSIURYNKFADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-13-6-5-9(7-16-13)17-14(18)12-8-19-10-3-1-2-4-11(10)20-12/h1-7,12H,8H2,(H,17,18).
What are the key properties of N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 274.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 103789852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).