2-N,6-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,6-dicarboxamide

C23H19N3O6 — CID 1132491

IUPAC2-N,6-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,6-dicarboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccc(C(=O)Nc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C23H19N3O6/c27-22(24-14-4-6-18-20(12-14)31-10-8-29-18)16-2-1-3-17(26-16)23(28)25-15-5-7-19-21(13-15)32-11-9-30-19/h1-7,12-13H,8-11H2,(H,24,27)(H,25,28)
InChIKeyOYXWAOYMDAIYIT-UHFFFAOYSA-N
MW433.42 g/mol
LogP3.13
Rot. Bonds4

About 2-N,6-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,6-dicarboxamide

2-N,6-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,6-dicarboxamide (PubChem CID 1132491) has the molecular formula C23H19N3O6 and a molecular weight of 433.42 g/mol. Its IUPAC name is 2-N,6-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,6-dicarboxamide
PubChem CID1132491
Molecular FormulaC23H19N3O6
Molecular Weight433.42 g/mol
Exact Mass433.13
IUPAC Name2-N,6-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,6-dicarboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccc(C(=O)Nc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C23H19N3O6/c27-22(24-14-4-6-18-20(12-14)31-10-8-29-18)16-2-1-3-17(26-16)23(28)25-15-5-7-19-21(13-15)32-11-9-30-19/h1-7,12-13H,8-11H2,(H,24,27)(H,25,28)
InChIKeyOYXWAOYMDAIYIT-UHFFFAOYSA-N
XLogP3.13
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,6-dicarboxamide (CID 1132491) is 2-N,6-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,6-dicarboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cccc(C(=O)Nc2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 2-N,6-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,6-dicarboxamide?
The InChIKey is OYXWAOYMDAIYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O6/c27-22(24-14-4-6-18-20(12-14)31-10-8-29-18)16-2-1-3-17(26-16)23(28)25-15-5-7-19-21(13-15)32-11-9-30-19/h1-7,12-13H,8-11H2,(H,24,27)(H,25,28).
What are the key properties of 2-N,6-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,6-dicarboxamide has a molecular weight of 433.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 1132491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).