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

C15H14N2O4 — CID 126484097

IUPAC2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCOc1ccc(C2COc3cc(C(N)=O)ccc3O2)cn1
InChIInChI=1S/C15H14N2O4/c1-19-14-5-3-10(7-17-14)13-8-20-12-6-9(15(16)18)2-4-11(12)21-13/h2-7,13H,8H2,1H3,(H2,16,18)
InChIKeyXHGBHCVTMVNMIC-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.70
Rot. Bonds3

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

2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 126484097) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID126484097
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCOc1ccc(C2COc3cc(C(N)=O)ccc3O2)cn1
InChIInChI=1S/C15H14N2O4/c1-19-14-5-3-10(7-17-14)13-8-20-12-6-9(15(16)18)2-4-11(12)21-13/h2-7,13H,8H2,1H3,(H2,16,18)
InChIKeyXHGBHCVTMVNMIC-UHFFFAOYSA-N
XLogP1.70
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 126484097) is 2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is COc1ccc(C2COc3cc(C(N)=O)ccc3O2)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is XHGBHCVTMVNMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-19-14-5-3-10(7-17-14)13-8-20-12-6-9(15(16)18)2-4-11(12)21-13/h2-7,13H,8H2,1H3,(H2,16,18).
What are the key properties of 2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 126484097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).