7,7-dimethyl-2-(4-methylpiperidin-1-yl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile

C17H23N3O — CID 800197

IUPAC7,7-dimethyl-2-(4-methylpiperidin-1-yl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCC1CCN(c2nc3c(cc2C#N)COC(C)(C)C3)CC1
InChIInChI=1S/C17H23N3O/c1-12-4-6-20(7-5-12)16-13(10-18)8-14-11-21-17(2,3)9-15(14)19-16/h8,12H,4-7,9,11H2,1-3H3
InChIKeyHBEHRXXVVSKLRK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.04
Rot. Bonds1

About 7,7-dimethyl-2-(4-methylpiperidin-1-yl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile

7,7-dimethyl-2-(4-methylpiperidin-1-yl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 800197) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 7,7-dimethyl-2-(4-methylpiperidin-1-yl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7,7-dimethyl-2-(4-methylpiperidin-1-yl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID800197
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name7,7-dimethyl-2-(4-methylpiperidin-1-yl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCC1CCN(c2nc3c(cc2C#N)COC(C)(C)C3)CC1
InChIInChI=1S/C17H23N3O/c1-12-4-6-20(7-5-12)16-13(10-18)8-14-11-21-17(2,3)9-15(14)19-16/h8,12H,4-7,9,11H2,1-3H3
InChIKeyHBEHRXXVVSKLRK-UHFFFAOYSA-N
XLogP3.04
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(4-methylpiperidin-1-yl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 7,7-dimethyl-2-(4-methylpiperidin-1-yl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (CID 800197) is 7,7-dimethyl-2-(4-methylpiperidin-1-yl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 7,7-dimethyl-2-(4-methylpiperidin-1-yl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 7,7-dimethyl-2-(4-methylpiperidin-1-yl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is CC1CCN(c2nc3c(cc2C#N)COC(C)(C)C3)CC1.
What is the InChIKey of 7,7-dimethyl-2-(4-methylpiperidin-1-yl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is HBEHRXXVVSKLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-4-6-20(7-5-12)16-13(10-18)8-14-11-21-17(2,3)9-15(14)19-16/h8,12H,4-7,9,11H2,1-3H3.
What are the key properties of 7,7-dimethyl-2-(4-methylpiperidin-1-yl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
7,7-dimethyl-2-(4-methylpiperidin-1-yl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 285.39 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(4-methylpiperidin-1-yl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 800197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).