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

C19H27N3O — CID 948230

IUPAC3,3-dimethyl-8-(2-methylpropyl)-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(C)Cc1nc(N2CCCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C19H27N3O/c1-13(2)9-17-16-12-23-19(3,4)10-14(16)15(11-20)18(21-17)22-7-5-6-8-22/h13H,5-10,12H2,1-4H3
InChIKeyFPSZVTSPNNINJR-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.60
Rot. Bonds3

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

3,3-dimethyl-8-(2-methylpropyl)-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 948230) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 3,3-dimethyl-8-(2-methylpropyl)-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3,3-dimethyl-8-(2-methylpropyl)-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID948230
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name3,3-dimethyl-8-(2-methylpropyl)-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(C)Cc1nc(N2CCCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C19H27N3O/c1-13(2)9-17-16-12-23-19(3,4)10-14(16)15(11-20)18(21-17)22-7-5-6-8-22/h13H,5-10,12H2,1-4H3
InChIKeyFPSZVTSPNNINJR-UHFFFAOYSA-N
XLogP3.60
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-8-(2-methylpropyl)-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 3,3-dimethyl-8-(2-methylpropyl)-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 948230) is 3,3-dimethyl-8-(2-methylpropyl)-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 3,3-dimethyl-8-(2-methylpropyl)-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 3,3-dimethyl-8-(2-methylpropyl)-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC(C)Cc1nc(N2CCCC2)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 3,3-dimethyl-8-(2-methylpropyl)-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is FPSZVTSPNNINJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-13(2)9-17-16-12-23-19(3,4)10-14(16)15(11-20)18(21-17)22-7-5-6-8-22/h13H,5-10,12H2,1-4H3.
What are the key properties of 3,3-dimethyl-8-(2-methylpropyl)-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
3,3-dimethyl-8-(2-methylpropyl)-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 313.44 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-8-(2-methylpropyl)-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 948230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).