6,6-dioxo-2-(propylamino)-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbonitrile

C12H15N3O2S — CID 62197129

IUPAC6,6-dioxo-2-(propylamino)-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbonitrile
SMILESCCCNc1nc2c(cc1C#N)CS(=O)(=O)CC2
InChIInChI=1S/C12H15N3O2S/c1-2-4-14-12-9(7-13)6-10-8-18(16,17)5-3-11(10)15-12/h6H,2-5,8H2,1H3,(H,14,15)
InChIKeyVNBXUVQIDZTLPI-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.25
Rot. Bonds3

About 6,6-dioxo-2-(propylamino)-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbonitrile

6,6-dioxo-2-(propylamino)-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 62197129) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 6,6-dioxo-2-(propylamino)-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6,6-dioxo-2-(propylamino)-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID62197129
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name6,6-dioxo-2-(propylamino)-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbonitrile
SMILESCCCNc1nc2c(cc1C#N)CS(=O)(=O)CC2
InChIInChI=1S/C12H15N3O2S/c1-2-4-14-12-9(7-13)6-10-8-18(16,17)5-3-11(10)15-12/h6H,2-5,8H2,1H3,(H,14,15)
InChIKeyVNBXUVQIDZTLPI-UHFFFAOYSA-N
XLogP1.25
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,6-dioxo-2-(propylamino)-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 6,6-dioxo-2-(propylamino)-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbonitrile (CID 62197129) is 6,6-dioxo-2-(propylamino)-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 6,6-dioxo-2-(propylamino)-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 6,6-dioxo-2-(propylamino)-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbonitrile is CCCNc1nc2c(cc1C#N)CS(=O)(=O)CC2.
What is the InChIKey of 6,6-dioxo-2-(propylamino)-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is VNBXUVQIDZTLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-2-4-14-12-9(7-13)6-10-8-18(16,17)5-3-11(10)15-12/h6H,2-5,8H2,1H3,(H,14,15).
What are the key properties of 6,6-dioxo-2-(propylamino)-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbonitrile?
6,6-dioxo-2-(propylamino)-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 265.34 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dioxo-2-(propylamino)-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 62197129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).