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

C14H12N2O4 — CID 24982932

IUPACN-(3-hydroxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ncccc1O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H12N2O4/c17-10-2-1-5-15-13(10)16-14(18)9-3-4-11-12(8-9)20-7-6-19-11/h1-5,8,17H,6-7H2,(H,15,16,18)
InChIKeyZWJYBFNUERXMHM-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.81
Rot. Bonds2

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

N-(3-hydroxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 24982932) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-(3-hydroxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID24982932
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC NameN-(3-hydroxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ncccc1O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H12N2O4/c17-10-2-1-5-15-13(10)16-14(18)9-3-4-11-12(8-9)20-7-6-19-11/h1-5,8,17H,6-7H2,(H,15,16,18)
InChIKeyZWJYBFNUERXMHM-UHFFFAOYSA-N
XLogP1.81
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(3-hydroxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 24982932) is N-(3-hydroxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(Nc1ncccc1O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(3-hydroxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is ZWJYBFNUERXMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-10-2-1-5-15-13(10)16-14(18)9-3-4-11-12(8-9)20-7-6-19-11/h1-5,8,17H,6-7H2,(H,15,16,18).
What are the key properties of N-(3-hydroxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(3-hydroxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 24982932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).