3,3-dimethyl-6-(oxolan-2-ylmethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C19H27N3O2 — CID 658465

IUPAC3,3-dimethyl-6-(oxolan-2-ylmethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(C)c1nc(NCC2CCCO2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C19H27N3O2/c1-12(2)17-16-11-24-19(3,4)8-14(16)15(9-20)18(22-17)21-10-13-6-5-7-23-13/h12-13H,5-8,10-11H2,1-4H3,(H,21,22)
InChIKeyFNICAFNVQCPFDE-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.52
Rot. Bonds4

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

3,3-dimethyl-6-(oxolan-2-ylmethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 658465) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3,3-dimethyl-6-(oxolan-2-ylmethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3,3-dimethyl-6-(oxolan-2-ylmethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID658465
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3,3-dimethyl-6-(oxolan-2-ylmethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(C)c1nc(NCC2CCCO2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C19H27N3O2/c1-12(2)17-16-11-24-19(3,4)8-14(16)15(9-20)18(22-17)21-10-13-6-5-7-23-13/h12-13H,5-8,10-11H2,1-4H3,(H,21,22)
InChIKeyFNICAFNVQCPFDE-UHFFFAOYSA-N
XLogP3.52
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-(oxolan-2-ylmethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 3,3-dimethyl-6-(oxolan-2-ylmethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 658465) is 3,3-dimethyl-6-(oxolan-2-ylmethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 3,3-dimethyl-6-(oxolan-2-ylmethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 3,3-dimethyl-6-(oxolan-2-ylmethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC(C)c1nc(NCC2CCCO2)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 3,3-dimethyl-6-(oxolan-2-ylmethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is FNICAFNVQCPFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-12(2)17-16-11-24-19(3,4)8-14(16)15(9-20)18(22-17)21-10-13-6-5-7-23-13/h12-13H,5-8,10-11H2,1-4H3,(H,21,22).
What are the key properties of 3,3-dimethyl-6-(oxolan-2-ylmethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
3,3-dimethyl-6-(oxolan-2-ylmethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 329.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-(oxolan-2-ylmethylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 658465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).