2-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-1H-pyridazine-3,6-dione

C14H13N3O3 — CID 23049036

IUPAC2-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-1H-pyridazine-3,6-dione
SMILESCC1(C)C=C(n2[nH]c(=O)ccc2=O)c2cccnc2O1
InChIInChI=1S/C14H13N3O3/c1-14(2)8-10(9-4-3-7-15-13(9)20-14)17-12(19)6-5-11(18)16-17/h3-8H,1-2H3,(H,16,18)
InChIKeyAQFXWLMMRREOHB-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.99
Rot. Bonds1

About 2-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-1H-pyridazine-3,6-dione

2-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-1H-pyridazine-3,6-dione (PubChem CID 23049036) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-1H-pyridazine-3,6-dione
PubChem CID23049036
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-1H-pyridazine-3,6-dione
SMILESCC1(C)C=C(n2[nH]c(=O)ccc2=O)c2cccnc2O1
InChIInChI=1S/C14H13N3O3/c1-14(2)8-10(9-4-3-7-15-13(9)20-14)17-12(19)6-5-11(18)16-17/h3-8H,1-2H3,(H,16,18)
InChIKeyAQFXWLMMRREOHB-UHFFFAOYSA-N
XLogP0.99
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-1H-pyridazine-3,6-dione (CID 23049036) is 2-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-1H-pyridazine-3,6-dione is CC1(C)C=C(n2[nH]c(=O)ccc2=O)c2cccnc2O1.
What is the InChIKey of 2-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-1H-pyridazine-3,6-dione?
The InChIKey is AQFXWLMMRREOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-14(2)8-10(9-4-3-7-15-13(9)20-14)17-12(19)6-5-11(18)16-17/h3-8H,1-2H3,(H,16,18).
What are the key properties of 2-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-1H-pyridazine-3,6-dione?
2-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-1H-pyridazine-3,6-dione has a molecular weight of 271.28 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 23049036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).