6-(diethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C16H23N3O — CID 657820

IUPAC6-(diethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCN(CC)c1nc(C)c2c(c1C#N)CC(C)(C)OC2
InChIInChI=1S/C16H23N3O/c1-6-19(7-2)15-13(9-17)12-8-16(4,5)20-10-14(12)11(3)18-15/h6-8,10H2,1-5H3
InChIKeyJGUPXEZIAMMJMY-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.96
Rot. Bonds3

About 6-(diethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

6-(diethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 657820) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-(diethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-(diethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID657820
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name6-(diethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCN(CC)c1nc(C)c2c(c1C#N)CC(C)(C)OC2
InChIInChI=1S/C16H23N3O/c1-6-19(7-2)15-13(9-17)12-8-16(4,5)20-10-14(12)11(3)18-15/h6-8,10H2,1-5H3
InChIKeyJGUPXEZIAMMJMY-UHFFFAOYSA-N
XLogP2.96
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-(diethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 657820) is 6-(diethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-(diethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-(diethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CCN(CC)c1nc(C)c2c(c1C#N)CC(C)(C)OC2.
What is the InChIKey of 6-(diethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is JGUPXEZIAMMJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-6-19(7-2)15-13(9-17)12-8-16(4,5)20-10-14(12)11(3)18-15/h6-8,10H2,1-5H3.
What are the key properties of 6-(diethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
6-(diethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 657820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).