3,3,8-trimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C16H21N3O — CID 700478

IUPAC3,3,8-trimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCc1nc(N2CCCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C16H21N3O/c1-11-14-10-20-16(2,3)8-12(14)13(9-17)15(18-11)19-6-4-5-7-19/h4-8,10H2,1-3H3
InChIKeyMIMPHVAWFOHDIM-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.71
Rot. Bonds1

About 3,3,8-trimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

3,3,8-trimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 700478) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3,3,8-trimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3,3,8-trimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID700478
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3,3,8-trimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCc1nc(N2CCCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C16H21N3O/c1-11-14-10-20-16(2,3)8-12(14)13(9-17)15(18-11)19-6-4-5-7-19/h4-8,10H2,1-3H3
InChIKeyMIMPHVAWFOHDIM-UHFFFAOYSA-N
XLogP2.71
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,8-trimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 3,3,8-trimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 700478) is 3,3,8-trimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 3,3,8-trimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 3,3,8-trimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is Cc1nc(N2CCCC2)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 3,3,8-trimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is MIMPHVAWFOHDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-14-10-20-16(2,3)8-12(14)13(9-17)15(18-11)19-6-4-5-7-19/h4-8,10H2,1-3H3.
What are the key properties of 3,3,8-trimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
3,3,8-trimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 271.36 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,8-trimethyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 700478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).