6-ethoxy-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C17H24N2O2 — CID 948186

IUPAC6-ethoxy-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCOc1nc(CC(C)C)c2c(c1C#N)CC(C)(C)OC2
InChIInChI=1S/C17H24N2O2/c1-6-20-16-13(9-18)12-8-17(4,5)21-10-14(12)15(19-16)7-11(2)3/h11H,6-8,10H2,1-5H3
InChIKeyOEFMHNAQVUFOJO-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.40
Rot. Bonds4

About 6-ethoxy-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

6-ethoxy-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 948186) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-ethoxy-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-ethoxy-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID948186
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name6-ethoxy-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCOc1nc(CC(C)C)c2c(c1C#N)CC(C)(C)OC2
InChIInChI=1S/C17H24N2O2/c1-6-20-16-13(9-18)12-8-17(4,5)21-10-14(12)15(19-16)7-11(2)3/h11H,6-8,10H2,1-5H3
InChIKeyOEFMHNAQVUFOJO-UHFFFAOYSA-N
XLogP3.40
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-ethoxy-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 948186) is 6-ethoxy-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-ethoxy-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-ethoxy-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CCOc1nc(CC(C)C)c2c(c1C#N)CC(C)(C)OC2.
What is the InChIKey of 6-ethoxy-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is OEFMHNAQVUFOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-6-20-16-13(9-18)12-8-17(4,5)21-10-14(12)15(19-16)7-11(2)3/h11H,6-8,10H2,1-5H3.
What are the key properties of 6-ethoxy-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
6-ethoxy-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 288.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 948186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).