8-ethyl-3,3-dimethyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C18H25N3O — CID 823266

IUPAC8-ethyl-3,3-dimethyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCc1nc(N2CCCCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C18H25N3O/c1-4-16-15-12-22-18(2,3)10-13(15)14(11-19)17(20-16)21-8-6-5-7-9-21/h4-10,12H2,1-3H3
InChIKeyAUSMGZKLIWWQFS-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.36
Rot. Bonds2

About 8-ethyl-3,3-dimethyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

8-ethyl-3,3-dimethyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 823266) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 8-ethyl-3,3-dimethyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-ethyl-3,3-dimethyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID823266
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name8-ethyl-3,3-dimethyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCc1nc(N2CCCCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C18H25N3O/c1-4-16-15-12-22-18(2,3)10-13(15)14(11-19)17(20-16)21-8-6-5-7-9-21/h4-10,12H2,1-3H3
InChIKeyAUSMGZKLIWWQFS-UHFFFAOYSA-N
XLogP3.36
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3,3-dimethyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-ethyl-3,3-dimethyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 823266) is 8-ethyl-3,3-dimethyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-ethyl-3,3-dimethyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-ethyl-3,3-dimethyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CCc1nc(N2CCCCC2)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 8-ethyl-3,3-dimethyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is AUSMGZKLIWWQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-4-16-15-12-22-18(2,3)10-13(15)14(11-19)17(20-16)21-8-6-5-7-9-21/h4-10,12H2,1-3H3.
What are the key properties of 8-ethyl-3,3-dimethyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
8-ethyl-3,3-dimethyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 299.42 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3,3-dimethyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 823266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).